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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045867

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
FPRPROPYLBENZENEC1RHK0.73
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
B69A2ZCR0.71
NTSNAPHTHALENE TRISULFONATEA1RML0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.8
BDBA,B1KE30.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.7
I4BISOBUTYLBENZENEA184L0.73
BNSHYDROSULFONYLBENZENE11YYY0.72
BNSHYDROSULFONYLBENZENEA1MEM0.72
BNSHYDROSULFONYLBENZENEA,D,E1FH00.72
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.72
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.77
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.79
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.79
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.79
BPSA,B2DE40.85
MAJindane-5-sulfonamideA2QOA0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.78
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.78
N4BN-BUTYLBENZENEA186L0.73
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.94
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.94
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73