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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02224109

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.74
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.78
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.78
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.78
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.74
NTSNAPHTHALENE TRISULFONATEA1RML0.78
I4BISOBUTYLBENZENEA184L0.72
FPRPROPYLBENZENEC1RHK0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.76
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.73
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.73
BNSHYDROSULFONYLBENZENE11YYY0.83
BNSHYDROSULFONYLBENZENEA1MEM0.83
BNSHYDROSULFONYLBENZENEA,D,E1FH00.83
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.83
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.86
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.86
MAJindane-5-sulfonamideA2QOA0.77
BPSA,B2DE40.84
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
N4BN-BUTYLBENZENEA186L0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.75
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.75
B69A2ZCR0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.7
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.7