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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331408

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAJindane-5-sulfonamideA2QOA0.75
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.79
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.75
BNSHYDROSULFONYLBENZENE11YYY0.76
BNSHYDROSULFONYLBENZENEA1MEM0.76
BNSHYDROSULFONYLBENZENEA,D,E1FH00.76
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.76
MBNTOLUENEA,B3D7O0.77
MBNTOLUENEA,B1R1X0.77
MBNTOLUENEA,B1JLX0.77
MBNTOLUENEA,B,C,D3D170.77
MBNTOLUENEA,B2VRL0.77
MBNTOLUENEA,I2Z3E0.77
MBNTOLUENEA,B1YZI0.77
MBNTOLUENEA,B2DN10.77
MBNTOLUENEA,B3EN10.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.81
FPRPROPYLBENZENEC1RHK0.78
DENINDENEA183L0.72
B69A2ZCR0.79
I4BISOBUTYLBENZENEA184L0.75
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.71
BPSA,B2DE40.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.79
BDBA,B1KE30.81