BioLiP

PDB

BioLiP

PDB CCD ID:

HHA

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O3

InChI:

InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1

InChIKey:

XBTXTLKLSHACSS-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH]1[CH](O)C=CC=C1C(O)=O
OpenEye OEToolkits 1.5.0	C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O
CACTVS 3.341	N[C@@H]1[C@@H](O)C=CC=C1C(O)=O
ACDLabs 10.04	O=C(O)C1=CC=CC(O)C1N
OpenEye OEToolkits 1.5.0	C1=CC(C(C(=C1)C(=O)O)N)O

Name:

(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID

ChEMBL:

CHEMBL1233316

DrugBank:

DB02124

ZINC:

ZINC000005835424

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).