SEQ2FUN

BioLiP

PDB CCD ID: TTL
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10-/m0/s1
InChIKey: IIMSEFZOOYSTDO-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@H]1CCc2ccccc2[C@@H]1O
CACTVS 3.341N[CH]1CCc2ccccc2[CH]1O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCC(C2O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CC[C@@H]([C@H]2O)N
ACDLabs 10.04OC2c1ccccc1CCC2N
Name:TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL;
TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
ChEMBL: CHEMBL46439
DrugBank: DB08654
ZINC: ZINC000008699423
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).