BioLiP

PDB

BioLiP

PDB CCD ID:

VCB

Number of entries in BioLiP:

Chemical formula:

C22 H15 N O4

InChI:

InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1

InChIKey:

JJNHPDOJBUAQDZ-LJQANCHMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@H](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H](C(=O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(C(=O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O
CACTVS 3.385	OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4

Name:

(2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid

ZINC:

ZINC000005203789

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).