MANSC (415-431)   Click here for help

GtoPdb Ligand ID: 10539

Comment: This is a 17 amino acid peptide derived from the human MANSC domain-containing protein 1 (MANSC1 protein). It is amino acids 415-431 using Uniprot numbering, and the carboxy-terminal 17 amino acids of the MANSC1 protein. It has been identified as a novel ligand for the GPCR, GPR55 [1].
Species: Human
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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)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)NC(C(CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)C(CC)C)CC(=O)N)C(CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)[C@H](CC)C)CC(=O)N)[C@H](CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N
InChI InChI=1S/C97H153N25O27/c1-13-51(10)77(93(146)115-67(42-56-27-33-59(126)34-28-56)89(142)120-76(50(8)9)92(145)117-70(45-75(131)132)90(143)122-79(95(148)149)53(12)15-3)119-73(128)46-107-81(134)68(43-72(100)127)116-94(147)78(52(11)14-2)121-88(141)64(39-49(6)7)111-85(138)65(40-54-23-29-57(124)30-24-54)113-87(140)69(44-74(129)130)114-84(137)63(38-48(4)5)110-83(136)62(22-19-37-106-97(103)104)109-91(144)71(47-123)118-86(139)66(41-55-25-31-58(125)32-26-55)112-82(135)61(21-18-36-105-96(101)102)108-80(133)60(99)20-16-17-35-98/h23-34,48-53,60-71,76-79,123-126H,13-22,35-47,98-99H2,1-12H3,(H2,100,127)(H,107,134)(H,108,133)(H,109,144)(H,110,136)(H,111,138)(H,112,135)(H,113,140)(H,114,137)(H,115,146)(H,116,147)(H,117,145)(H,118,139)(H,119,128)(H,120,142)(H,121,141)(H,122,143)(H,129,130)(H,131,132)(H,148,149)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-/m0/s1
InChI Key CCMVMLBWJFAFRO-IAMXVIFYSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
MANSC1 MANSC domain containing 1 Human -
Database Links Click here for help
Entrez Gene 54682 (Hs)
GtoPdb PubChem SID 387271631
RefSeq Protein NP_060520 (Hs)
Search Google for chemical match using the InChIKey CCMVMLBWJFAFRO-IAMXVIFYSA-N
Search Google for chemicals with the same backbone CCMVMLBWJFAFRO
Search UniChem for chemical match using the InChIKey CCMVMLBWJFAFRO-IAMXVIFYSA-N
Search UniChem for chemicals with the same backbone CCMVMLBWJFAFRO
UniProtKB Q9H8J5 (Hs)