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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02346555

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
DENINDENEA183L0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.82
NPYNAPHTHALENEA,B1O7G0.77
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
BDBA,B1KE30.77
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
N4BN-BUTYLBENZENEA186L0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
2HT3-methylbenzonitrileA,B3F880.83
I4BISOBUTYLBENZENEA184L0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
AN3ANTHRACENEA,B2HMN0.78
AN3ANTHRACENEA,B2HMM0.78
FPRPROPYLBENZENEC1RHK0.76
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
PEYPHENANTHRENEA,B2HML0.78
PEYPHENANTHRENEA,B2HMK0.78