BioLiP

PDB

BioLiP

PDB CCD ID:

TPL

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O

InChI:

InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1

InChIKey:

UDQCRUSSQAXPJY-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CO)Cc1c[nH]c2ccccc12
CACTVS 3.341	N[C@H](CO)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N
ACDLabs 10.04	OCC(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(CO)N

Name:

TRYPTOPHANOL;
2-AMINO-3-(1H-INDOL-3-YL)-PROPAN-1-OL

ChEMBL:

CHEMBL1222398

DrugBank:

DB04236

ZINC:

ZINC000000403176

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).