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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01526563

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEH,I1C5N0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5R0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5Q0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1O5B0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5X0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5W0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.7
BAMBENZAMIDINEU1F5K0.79
BAMBENZAMIDINEX2BY80.79
BAMBENZAMIDINEB2PSM0.79
BAMBENZAMIDINEX2BY90.79
BAMBENZAMIDINEA1C1N0.79
BAMBENZAMIDINEX2BY60.79
BAMBENZAMIDINEH,I1C5O0.79
BAMBENZAMIDINEA1XX40.79
BAMBENZAMIDINEA1HJ80.79
BAMBENZAMIDINEA1C5P0.79
BAMBENZAMIDINEB1C5Z0.79
BAMBENZAMIDINEA,B1ZVW0.79
BAMBENZAMIDINEA2ANW0.79
BAMBENZAMIDINEA2ANY0.79
BAMBENZAMIDINEX2BYA0.79
BAMBENZAMIDINEA1TIO0.79
BAMBENZAMIDINEX2BY50.79
BAMBENZAMIDINEX2BY70.79
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.87
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.72
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.72
BENBENZAMIDINEA2TIO0.79
BENBENZAMIDINEA1J150.79
BENBENZAMIDINEA,B3BEU0.79
BENBENZAMIDINET1V2U0.79
BENBENZAMIDINEA,B,C,D,E,F3CF80.79
BENBENZAMIDINEA1S0R0.79
BENBENZAMIDINEA,B1V160.79
BENBENZAMIDINEA1CC70.79
BENBENZAMIDINEA3BG80.79
BENBENZAMIDINEA1CC80.79
BENBENZAMIDINEA3PTB0.79
BENBENZAMIDINEA,B1TRM0.79
BENBENZAMIDINEA1ZHR0.79
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.79
BENBENZAMIDINEA2BLV0.79
BENBENZAMIDINEA,B,C,D,E,F2GLP0.79
BENBENZAMIDINEH,I3D490.79
BENBENZAMIDINEH,L,T2AER0.79
BENBENZAMIDINEA1J140.79
BENBENZAMIDINEA1NSA0.79
BENBENZAMIDINEA2AYW0.79
BENBENZAMIDINEA1BRA0.79
BENBENZAMIDINEA,B,C,D1A0J0.79
BENBENZAMIDINEB,C,D2AST0.79
BENBENZAMIDINEA,B2CKR0.79
BENBENZAMIDINEA1LPU0.79
BENBENZAMIDINEA1ZHM0.79
BENBENZAMIDINEA1J8A0.79
BENBENZAMIDINEA,B3BCX0.79
BENBENZAMIDINEA,B,C,D,E,F3CF90.79
BENBENZAMIDINEA,B,C,D,E,F3D040.79
BENBENZAMIDINEA,B,C,D,E,F2GLL0.79
BENBENZAMIDINEA1AND0.79
BENBENZAMIDINEA2TBS0.79
BENBENZAMIDINEA,B,C,D,E,F3DP20.79
BENBENZAMIDINET1V2M0.79
BENBENZAMIDINEA2EEK0.79
BENBENZAMIDINEH,I2ZI20.79
BENBENZAMIDINET1V2J0.79
BENBENZAMIDINEH1KLI0.79
BENBENZAMIDINEA1CE50.79
BENBENZAMIDINEA,B,C,D,E,F3B7J0.79
BENBENZAMIDINEB,Y2PKA0.79
BENBENZAMIDINEA2VJ00.79
BENBENZAMIDINEA3B3J0.79
BENBENZAMIDINEA,B,C,D,E,F3DOY0.79
BENBENZAMIDINEA,B,C,D,E,F3DP30.79
BENBENZAMIDINEA,B,C,D,E,F2GLM0.79
BENBENZAMIDINEA1ANB0.79
BENBENZAMIDINEA1LO60.79
BENBENZAMIDINEA1LR40.79
BENBENZAMIDINEA,B1V1M0.79
BENBENZAMIDINEA1ZHP0.79
BENBENZAMIDINEA2J9N0.79
BENBENZAMIDINEA2BMV0.79
BENBENZAMIDINEA,B2CKS0.79
BENBENZAMIDINEA2BLW0.79
BENBENZAMIDINEA1J160.79
BENBENZAMIDINEA,B1V110.79
BENBENZAMIDINEA,B,C,D,E,F3DP00.79
BENBENZAMIDINEB1RTF0.79
BENBENZAMIDINEA,B,C,D,E,F3DP10.79
BENBENZAMIDINEA,B,C,D2E580.79
BENBENZAMIDINEA2TRM0.79
BENBENZAMIDINET1V2V0.79
BENBENZAMIDINEA1MBQ0.79
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.79
BENBENZAMIDINEA2O8U0.79
BENBENZAMIDINEH1DWB0.79
BENBENZAMIDINEB,C2ASS0.79
BENBENZAMIDINEA1ANE0.79
BENBENZAMIDINEH,I2ZIQ0.79
BENBENZAMIDINEA1BIT0.79
BENBENZAMIDINEA2AIQ0.79
BENBENZAMIDINEA2OQ50.79
BENBENZAMIDINEA1ANC0.79
BENBENZAMIDINEH1JBU0.79
BENBENZAMIDINEA,B2BPQ0.79
BENBENZAMIDINEA,B,C,D2GNN0.79
BENBENZAMIDINET1V2S0.79
BENBENZAMIDINEA1H4W0.79
BENBENZAMIDINEA1OSS0.79
BENBENZAMIDINEA1W800.79
BENBENZAMIDINEA1BTY0.79
BENBENZAMIDINEH,I2ZFQ0.79
BENBENZAMIDINEA1EAX0.79
BENBENZAMIDINEA1L2E0.79
BENBENZAMIDINEA1WRI0.79
BENBENZAMIDINEA,B3BB80.79
BENBENZAMIDINEA2OXS0.79
BENBENZAMIDINEA1DPO0.79
BENBENZAMIDINET1V2L0.79
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
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.79
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.72
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.7
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.75
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