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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02219012

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.83
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
BDBA,B1KE30.78
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
2HT3-methylbenzonitrileA,B3F880.82
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
N4BN-BUTYLBENZENEA186L0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
NPYNAPHTHALENEA,B1O7G0.76
I4BISOBUTYLBENZENEA184L0.8