CARTPT (76-96)   Click here for help

GtoPdb Ligand ID: 10571

Comment: This peptide is a variant of human CART prepropeptide (CARTPT; also known as 'cocaine and amphetamine regulated transcript'). It exhibits agonist activity at the orphan GPCR, GPR68 [1].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CSSCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N
Isomeric SMILES NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N
InChI InChI=1S/C93H153N31O28S3/c1-11-46(6)73(74(98)135)123-84(145)55(19-15-34-104-93(101)102)113-76(137)48(8)108-66(128)39-107-79(140)53(17-12-13-32-94)114-80(141)54(18-14-33-103-92(99)100)117-90(151)71(44(2)3)121-77(138)49(9)110-87(148)61-42-154-155-43-62(88(149)118-60(38-70(133)134)86(147)109-47(7)75(136)105-40-67(129)112-57(27-30-69(131)132)81(142)115-58(82(143)119-61)26-29-65(97)127)120-83(144)59(31-36-153-10)116-89(150)63-20-16-35-124(63)91(152)72(45(4)5)122-85(146)56(25-28-64(96)126)111-68(130)41-106-78(139)52(95)37-50-21-23-51(125)24-22-50/h21-24,44-49,52-63,71-73,125H,11-20,25-43,94-95H2,1-10H3,(H2,96,126)(H2,97,127)(H2,98,135)(H,105,136)(H,106,139)(H,107,140)(H,108,128)(H,109,147)(H,110,148)(H,111,130)(H,112,129)(H,113,137)(H,114,141)(H,115,142)(H,116,150)(H,117,151)(H,118,149)(H,119,143)(H,120,144)(H,121,138)(H,122,146)(H,123,145)(H,131,132)(H,133,134)(H4,99,100,103)(H4,101,102,104)/t46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72-,73-/m0/s1
InChI Key PNNVWALMJPZPKN-UNDUOMTFSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR68 Hs Agonist Agonist 6.0 pEC50 - 1
pEC50 6.0 (EC50 1.05x10-6 M) [1]