Chgb (511-532)   Click here for help

GtoPdb Ligand ID: 10540

Comment: This is a 22 amino acid peptide derived from the rat secretogranin-1 protein. It is amino acids 511-532 using Uniprot numbering. It has been identified as a novel ligand for the GPCR, GPR55 [1].
Species: Rat
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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)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)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)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N
InChI InChI=1S/C127H181N31O34/c1-67(2)52-84(145-110(175)81(36-23-49-136-127(134)135)140-107(172)78(130)33-19-21-47-128)108(173)138-65-102(164)139-70(7)106(171)144-85(53-68(3)4)113(178)146-88(56-72-28-13-9-14-29-72)116(181)154-94(61-101(133)163)124(189)157-50-24-38-98(157)123(188)153-90(58-74-39-41-76(160)42-40-74)115(180)147-89(57-73-30-15-10-16-31-73)117(182)155-95(63-105(169)170)125(190)158-51-25-37-97(158)122(187)152-86(54-69(5)6)112(177)142-82(43-45-99(131)161)111(176)149-91(59-75-64-137-79-34-18-17-32-77(75)79)118(183)141-80(35-20-22-48-129)109(174)150-92(60-100(132)162)119(184)156-96(66-159)121(186)151-93(62-104(167)168)120(185)148-87(55-71-26-11-8-12-27-71)114(179)143-83(126(191)192)44-46-103(165)166/h8-18,26-32,34,39-42,64,67-70,78,80-98,137,159-160H,19-25,33,35-38,43-63,65-66,128-130H2,1-7H3,(H2,131,161)(H2,132,162)(H2,133,163)(H,138,173)(H,139,164)(H,140,172)(H,141,183)(H,142,177)(H,143,179)(H,144,171)(H,145,175)(H,146,178)(H,147,180)(H,148,185)(H,149,176)(H,150,174)(H,151,186)(H,152,187)(H,153,188)(H,154,181)(H,155,182)(H,156,184)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,134,135,136)/t70-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1
InChI Key USZLWOIXWADXRT-HXRUCQLXSA-N
Peptide Sequence Click here for help
KRLGALFNPYFDPLQWKNSDFE
Lys-Arg-Leu-Gly-Ala-Leu-Phe-Asn-Pro-Tyr-Phe-Asp-Pro-Leu-Gln-Trp-Lys-Asn-Ser-Asp-Phe-Glu
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel