SEQ2FUN

BioLiP

PDB CCD ID: LWT
Number of entries in BioLiP: 1
Chemical formula: C18 H19 Cl N2 O2 S
InChI: InChI=1S/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1
InChIKey: OHOLRUMFOHOXGB-JCGVRSQUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CCC[C@@H]3c2c1)c4ccccc4Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C2C3CCCC3c4cc(ccc4N2)S(=O)(=O)N)Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl
CACTVS 3.385N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl
Name:4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
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).