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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021725

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
2HT3-methylbenzonitrileA,B3F880.84
I4BISOBUTYLBENZENEA184L0.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.83
PEYPHENANTHRENEA,B2HML0.79
PEYPHENANTHRENEA,B2HMK0.79
BDBA,B1KE30.78
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
AN3ANTHRACENEA,B2HMN0.79
AN3ANTHRACENEA,B2HMM0.79
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
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
NPYNAPHTHALENEA,B1O7G0.78
118TETRAPHENYLANTIMONIUM IONA1EXI0.72
N4BN-BUTYLBENZENEA186L0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
TTATETRAPHENYL-ARSONIUMA1HYV0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75