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BioLiP

PDB CCD ID: RGU
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1
InChIKey: QPPMCKRHXDXQPA-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)CC3N2C(=O)CC3
CACTVS 3.385O=C1CC[CH]2Cc3ccccc3N12
CACTVS 3.385O=C1CC[C@@H]2Cc3ccccc3N12
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)C[C@@H]3N2C(=O)CC3
Name:(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one
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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