BioLiP

PDB

BioLiP

PDB CCD ID:

PAQ

Number of entries in BioLiP:

Chemical formula:

C14 H16 N4 O4

InChI:

InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1

InChIKey:

AZUQIXJQZOMXAS-BDAKNGLRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccnc(c1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N
CACTVS 3.341	N[CH](C[CH]1C=C(NNc2ccccn2)C(=CC1=O)O)C(O)=O
CACTVS 3.341	N[C@@H](C[C@@H]1C=C(NNc2ccccn2)C(=CC1=O)O)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O

Name:

2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE

DrugBank:

DB01634

ZINC:

ZINC000006080317

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).