BioLiP

PDB

BioLiP

PDB CCD ID:

7SP

Number of entries in BioLiP:

Chemical formula:

C19 H17 N3 O2

InChI:

InChI=1S/C19H17N3O2/c20-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(23)16-9-5-4-8-15(14)16/h1-12,18,23H,20H2,(H,22,24)/b21-12+/t18-/m1/s1

InChIKey:

WWYPXPWOVWOANL-AGKWGAAGSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](C(=O)NN=Cc1ccc(O)c2ccccc12)c3ccccc3
OpenEye OEToolkits 1.7.2	c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C(C(=O)NN=Cc2ccc(c3c2cccc3)O)N
CACTVS 3.370	N[C@@H](C(=O)N\N=C\c1ccc(O)c2ccccc12)c3ccccc3
ACDLabs 12.01	O=C(N\N=C\c2c1ccccc1c(O)cc2)C(c3ccccc3)N

Name:

(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide

ZINC:

ZINC000095920829

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).