BioLiP

PDB

BioLiP

PDB CCD ID:

E91

Number of entries in BioLiP:

Chemical formula:

C21 H14 N2 O2

InChI:

InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+

InChIKey:

UDYNXPSETJWNEU-LPYMAVHISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)C=NN=C2c3ccccc3c4ccccc24
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)-c3ccccc3C2=NN=Cc4ccc(cc4)C(=O)O
ACDLabs 12.01	O=C(O)c1ccc(cc1)\C=N\N=C4/c2ccccc2c3c4cccc3
CACTVS 3.385	OC(=O)c1ccc(cc1)\C=N\N=C2c3ccccc3c4ccccc24

Name:

4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid

ChEMBL:

CHEMBL1998381

ZINC:

ZINC000001710178

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).