CCK-33   Click here for help

GtoPdb Ligand ID: 860

Synonyms: CCRIS 3307 | cholecystokinin 33
Species: Human
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: cck-33

2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)CCSC)c1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCCNC(=N)N)CC(=O)O)CO)C(CC)C)CCCNC(=N)N)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCCN)N)C)CO)CCCNC(=N)N)CCSC)CO
Isomeric SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)CCSC)c1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCCNC(=N)N)CC(=O)O)CO)C(CC)C)CCCNC(=N)N)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCCN)N)C)CO)CCCNC(=N)N)CCSC)CO
InChI InChI=1S/C166H261N51O52S4/c1-15-84(9)130(159(261)211-116(78-220)154(256)206-110(68-125(227)228)150(252)191-97(38-27-54-182-165(176)177)139(241)205-112(70-127(231)232)152(254)215-132(88-42-44-91(45-43-88)269-273(266,267)268)161(263)197-100(48-58-270-12)135(237)185-75-124(226)190-106(64-89-72-184-94-35-21-20-33-92(89)94)146(248)195-101(49-59-271-13)141(243)204-111(69-126(229)230)151(253)198-103(133(173)235)63-87-31-18-17-19-32-87)213-143(245)98(39-28-55-183-166(178)179)192-147(249)107(65-90-73-180-80-187-90)201-153(255)115(77-219)210-157(259)119-41-30-57-217(119)163(265)113(71-128(233)234)207-145(247)105(62-82(5)6)200-149(251)109(67-122(172)224)203-140(242)99(46-47-120(170)222)193-144(246)104(61-81(3)4)199-148(250)108(66-121(171)223)202-138(240)96(36-23-25-52-168)196-158(260)129(83(7)8)212-160(262)131(85(10)16-2)214-155(257)117(79-221)208-142(244)102(50-60-272-14)194-137(239)95(37-26-53-181-164(174)175)189-123(225)74-186-136(238)114(76-218)209-156(258)118-40-29-56-216(118)162(264)86(11)188-134(236)93(169)34-22-24-51-167/h17-21,31-33,35,42-45,72-73,80-86,93,95-119,129-132,184,218-221H,15-16,22-30,34,36-41,46-71,74-79,167-169H2,1-14H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,235)(H,180,187)(H,185,237)(H,186,238)(H,188,236)(H,189,225)(H,190,226)(H,191,252)(H,192,249)(H,193,246)(H,194,239)(H,195,248)(H,196,260)(H,197,263)(H,198,253)(H,199,250)(H,200,251)(H,201,255)(H,202,240)(H,203,242)(H,204,243)(H,205,241)(H,206,256)(H,207,247)(H,208,244)(H,209,258)(H,210,259)(H,211,261)(H,212,262)(H,213,245)(H,214,257)(H,215,254)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)(H,266,267,268)
InChI Key QFLBZJPOIZFFJQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Synonyms Click here for help
CCRIS 3307 | cholecystokinin 33
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
CCK cholecystokinin Human prepro-cholecystokinin -
Database Links Click here for help
BindingDB Ligand 81963
Ensembl Gene ENSG00000187094 (Hs)
GtoPdb PubChem SID 135651648
Human Protein Atlas ENSG00000187094 (Hs)
PubChem CID 16129670
Search Google for chemical match using the InChIKey QFLBZJPOIZFFJQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QFLBZJPOIZFFJQ
UniChem Compound Search for chemical match using the InChIKey QFLBZJPOIZFFJQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QFLBZJPOIZFFJQ-UHFFFAOYSA-N
UniProtKB P06307 (Hs)