BioLiP

PDB

BioLiP

PDB CCD ID:

TRO

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3

InChI:

InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1

InChIKey:

VAUYGGXCASQWHK-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c([nH]2)O)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1c(O)[nH]c2ccccc12)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc2c1ccccc1nc2O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1c(O)[nH]c2ccccc12)C(O)=O

Name:

2-HYDROXY-TRYPTOPHAN

DrugBank:

DB03679

ZINC:

ZINC000100020157

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).