BioLiP

PDB

BioLiP

PDB CCD ID:

HHW

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N O3

InChI:

InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+

InChIKey:

LCXLBLQWTJEACF-RUDMXATFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O
CACTVS 3.385	OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2
CACTVS 3.385	OC(=O)\C=C\c1cccc(c1)C(=O)Nc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)C=CC(=O)O

Name:

(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid

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).