BioLiP

PDB

BioLiP

PDB CCD ID:

OZW

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O2

InChI:

InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1

InChIKey:

ZLWCHZVFSZLPBY-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NNc2ccc(cc2)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccc(NNc2ccccc2)cc1)C(O)=O

Name:

phenylhydrazinyl phenylalanine

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).