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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011642

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.82
N4BN-BUTYLBENZENEA186L0.79
PEYPHENANTHRENEA,B2HML0.79
PEYPHENANTHRENEA,B2HMK0.79
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
AN3ANTHRACENEA,B2HMN0.79
AN3ANTHRACENEA,B2HMM0.79
BPSA,B2DE40.71
PYLPHENYLETHANEC1B070.79
PYLPHENYLETHANEA,B2VRM0.79
PYLPHENYLETHANEA1NHB0.79
I4BISOBUTYLBENZENEA184L0.79
BDBA,B1KE30.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
NPYNAPHTHALENEA,B1O7G0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
PXYPARA-XYLENEA187L0.79
PXYPARA-XYLENEA225L0.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
DENINDENEA183L0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
2HT3-methylbenzonitrileA,B3F880.87
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
FPRPROPYLBENZENEC1RHK0.79
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7