SEQ2FUN

BioLiP

PDB CCD ID: 1XY
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2/t8-/m1/s1
InChIKey: LCOFMNJNNXWKOC-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(CCO2)N
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[C@@H](CCO2)N
ACDLabs 12.01O2c1ccccc1C(N)CC2
CACTVS 3.385N[CH]1CCOc2ccccc12
CACTVS 3.385N[C@@H]1CCOc2ccccc12
Name:(4R)-3,4-dihydro-2H-chromen-4-amine
ZINC: ZINC000003899145
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).