BioLiP

PDB

BioLiP

PDB CCD ID:

4HT

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3

InChI:

InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1

InChIKey:

QSHLMQDRPXXYEE-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1c[nH]c2cccc(O)c12)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc2c1c(cccc1O)nc2
OpenEye OEToolkits 1.5.0	c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](Cc1c[nH]c2cccc(O)c12)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc2c(c(c1)O)c(c[nH]2)CC(C(=O)O)N

Name:

4-HYDROXYTRYPTOPHAN

ZINC:

ZINC000005843989

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).