BioLiP

PDB

BioLiP

PDB CCD ID:

SPB

Number of entries in BioLiP:

Chemical formula:

C19 H19 N O3

InChI:

InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+

InChIKey:

FTXJWRRYLLRFMG-MDZDMXLPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)/C=C/c2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2
ACDLabs 10.04	O=C(Nc1ccc(cc1)\C=C\c2ccccc2)CCCC(=O)O

Name:

4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID;
5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID;
N-(TRANS-4-STILBENYL)-5-AMINO-5-OXO-PENTANOIC ACID

DrugBank:

DB08562

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).