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BioLiP

PDB CCD ID: YLG
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N
InChI: InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
InChIKey: QPILYVQSKNWRDD-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1NCCc2ccccc12
CACTVS 3.385C[C@H]1NCCc2ccccc12
OpenEye OEToolkits 1.7.6CC1c2ccccc2CCN1
OpenEye OEToolkits 1.7.6C[C@@H]1c2ccccc2CCN1
Name:(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline
ZINC: ZINC000019624605
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).
  • 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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