BioLiP

PDB

BioLiP

PDB CCD ID:

BR4

Number of entries in BioLiP:

Chemical formula:

C25 H33 N O3

InChI:

InChI=1S/C25H33NO3/c27-24(16-10-2-1-5-11-21-12-6-3-7-13-21)26-23(19-20-25(28)29)18-17-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,1-2,5,10-11,16-20H2,(H,26,27)(H,28,29)/t23-/m1/s1

InChIKey:

SMNHQYPORNSAQH-HSZRJFAPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCCCCCC(=O)NC(CCc2ccccc2)CCC(=O)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O
CACTVS 3.341	OC(=O)CC[C@@H](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2
CACTVS 3.341	OC(=O)CC[CH](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2
ACDLabs 10.04	O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)CCc2ccccc2

Name:

6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID

DrugBank:

DB03471

ZINC:

ZINC000006579298

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).