BioLiP

PDB

BioLiP

PDB CCD ID:

ZZW

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N3 O2

InChI:

InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)

InChIKey:

ADHFMENDOUEJRK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO
CACTVS 3.370	ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24
ACDLabs 12.01	Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4

Name:

9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide

ZINC:

ZINC000003818683

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).