SEQ2FUN

BioLiP

PDB CCD ID: 68N
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKey: BGGIPVPHBWWEJT-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H]1NCCc2ccccc12
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCN[C@@H]2CO
CACTVS 3.385OC[CH]1NCCc2ccccc12
ACDLabs 12.01c1c2c(ccc1)C(NCC2)CO
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCNC2CO
Name:[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
ZINC: ZINC000066354520
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).