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BioLiP

PDB CCD ID: TPL
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341N[CH](CO)Cc1c[nH]c2ccccc12
CACTVS 3.341N[C@H](CO)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N
ACDLabs 10.04OCC(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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