TIP39-(9-39) (human/bovine)   Click here for help

GtoPdb Ligand ID: 1818

Synonyms: human/bovine tuberoinfundibular peptide 9-39
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2D Structure
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SMILES / InChI / InChIKey
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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)O)C)CC(=O)O)CC(C)C)C(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1ccccc1)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(C)C)CC(=O)N)CO)Cc1ccc(cc1)O)CCSC)Cc1nc[nH]c1
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
InChI InChI=1S/C170H273N53O41S/c1-84(2)64-114(211-151(249)116(66-86(5)6)210-143(241)107(42-31-58-187-167(176)177)198-137(235)95(20)195-139(237)106(41-30-57-186-166(174)175)199-145(243)111(51-53-131(227)228)204-141(239)109(44-33-60-189-169(180)181)203-155(253)121(207-135(233)92(17)172)71-97-36-24-23-25-37-97)148(246)196-93(18)136(234)194-94(19)138(236)208-115(65-85(3)4)150(248)205-112(52-54-132(229)230)146(244)201-108(43-32-59-188-168(178)179)140(238)200-110(45-34-61-190-170(182)183)144(242)216-125(75-101-80-185-83-193-101)159(257)215-123(73-99-78-191-104-39-27-26-38-103(99)104)157(255)212-118(68-88(9)10)153(251)218-126(76-130(173)226)160(258)221-128(81-224)162(260)214-122(72-98-47-49-102(225)50-48-98)156(254)206-113(55-63-265-22)147(245)217-124(74-100-79-184-82-192-100)158(256)202-105(40-28-29-56-171)142(240)209-117(67-87(7)8)152(250)213-120(70-90(13)14)161(259)222-134(91(15)16)163(261)220-119(69-89(11)12)154(252)219-127(77-133(231)232)149(247)197-96(21)164(262)223-62-35-46-129(223)165(263)264/h23-27,36-39,47-50,78-80,82-96,105-129,134,191,224-225H,28-35,40-46,51-77,81,171-172H2,1-22H3,(H2,173,226)(H,184,192)(H,185,193)(H,194,234)(H,195,237)(H,196,246)(H,197,247)(H,198,235)(H,199,243)(H,200,238)(H,201,244)(H,202,256)(H,203,253)(H,204,239)(H,205,248)(H,206,254)(H,207,233)(H,208,236)(H,209,240)(H,210,241)(H,211,249)(H,212,255)(H,213,250)(H,214,260)(H,215,257)(H,216,242)(H,217,245)(H,218,251)(H,219,252)(H,220,261)(H,221,258)(H,222,259)(H,227,228)(H,229,230)(H,231,232)(H,263,264)(H4,174,175,186)(H4,176,177,187)(H4,178,179,188)(H4,180,181,189)(H4,182,183,190)/t92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,134-/m0/s1
InChI Key YZGNBZRNADJFRC-PXNJZTSKSA-N
References
1. Jonsson KB, John MR, Gensure RC, Gardella TJ, J├╝ppner H. (2001)
Tuberoinfundibular peptide 39 binds to the parathyroid hormone (PTH)/PTH-related peptide receptor, but functions as an antagonist.
Endocrinology, 142 (2): 704-9. [PMID:11159842]