BioLiP

PDB

BioLiP

PDB CCD ID:

TRX

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3

InChI:

InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1

InChIKey:

NXANGIZFHQQBCC-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1cc2c(cc1O)[nH]cc2CC(C(=O)O)N
OpenEye OEToolkits 1.7.2	c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N
CACTVS 3.370	N[CH](Cc1c[nH]c2cc(O)ccc12)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc2c1ccc(O)cc1nc2
CACTVS 3.370	N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(O)=O

Name:

6-HYDROXYTRYPTOPHAN

ZINC:

ZINC000014512177

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).