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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025512

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I4BISOBUTYLBENZENEA184L0.77
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
BDBA,B1KE30.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.72
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.72
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.72
2HT3-methylbenzonitrileA,B3F880.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.77
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
N4BN-BUTYLBENZENEA186L0.76
MAJindane-5-sulfonamideA2QOA0.72
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
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.7
B69A2ZCR0.78
BPSA,B2DE40.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.81
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.81
FPRPROPYLBENZENEC1RHK0.76
BNSHYDROSULFONYLBENZENE11YYY0.73
BNSHYDROSULFONYLBENZENEA1MEM0.73
BNSHYDROSULFONYLBENZENEA,D,E1FH00.73
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.73
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71