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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03471594

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.84
BAMBENZAMIDINEU1F5K0.71
BAMBENZAMIDINEX2BY80.71
BAMBENZAMIDINEB2PSM0.71
BAMBENZAMIDINEX2BY90.71
BAMBENZAMIDINEA1C1N0.71
BAMBENZAMIDINEX2BY60.71
BAMBENZAMIDINEH,I1C5O0.71
BAMBENZAMIDINEA1XX40.71
BAMBENZAMIDINEA1HJ80.71
BAMBENZAMIDINEA1C5P0.71
BAMBENZAMIDINEB1C5Z0.71
BAMBENZAMIDINEA,B1ZVW0.71
BAMBENZAMIDINEA2ANW0.71
BAMBENZAMIDINEA2ANY0.71
BAMBENZAMIDINEX2BYA0.71
BAMBENZAMIDINEA1TIO0.71
BAMBENZAMIDINEX2BY50.71
BAMBENZAMIDINEX2BY70.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.74
271N-methyl-1-phenylmethanamineX2RBT0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
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
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.84
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
BZZBENZYLHYDRAZINEA,B2E2V0.77
BENBENZAMIDINEA2TIO0.71
BENBENZAMIDINEA1J150.71
BENBENZAMIDINEA,B3BEU0.71
BENBENZAMIDINET1V2U0.71
BENBENZAMIDINEA,B,C,D,E,F3CF80.71
BENBENZAMIDINEA1S0R0.71
BENBENZAMIDINEA,B1V160.71
BENBENZAMIDINEA1CC70.71
BENBENZAMIDINEA3BG80.71
BENBENZAMIDINEA1CC80.71
BENBENZAMIDINEA3PTB0.71
BENBENZAMIDINEA,B1TRM0.71
BENBENZAMIDINEA1ZHR0.71
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.71
BENBENZAMIDINEA2BLV0.71
BENBENZAMIDINEA,B,C,D,E,F2GLP0.71
BENBENZAMIDINEH,I3D490.71
BENBENZAMIDINEH,L,T2AER0.71
BENBENZAMIDINEA1J140.71
BENBENZAMIDINEA1NSA0.71
BENBENZAMIDINEA2AYW0.71
BENBENZAMIDINEA1BRA0.71
BENBENZAMIDINEA,B,C,D1A0J0.71
BENBENZAMIDINEB,C,D2AST0.71
BENBENZAMIDINEA,B2CKR0.71
BENBENZAMIDINEA1LPU0.71
BENBENZAMIDINEA1ZHM0.71
BENBENZAMIDINEA1J8A0.71
BENBENZAMIDINEA,B3BCX0.71
BENBENZAMIDINEA,B,C,D,E,F3CF90.71
BENBENZAMIDINEA,B,C,D,E,F3D040.71
BENBENZAMIDINEA,B,C,D,E,F2GLL0.71
BENBENZAMIDINEA1AND0.71
BENBENZAMIDINEA2TBS0.71
BENBENZAMIDINEA,B,C,D,E,F3DP20.71
BENBENZAMIDINET1V2M0.71
BENBENZAMIDINEA2EEK0.71
BENBENZAMIDINEH,I2ZI20.71
BENBENZAMIDINET1V2J0.71
BENBENZAMIDINEH1KLI0.71
BENBENZAMIDINEA1CE50.71
BENBENZAMIDINEA,B,C,D,E,F3B7J0.71
BENBENZAMIDINEB,Y2PKA0.71
BENBENZAMIDINEA2VJ00.71
BENBENZAMIDINEA3B3J0.71
BENBENZAMIDINEA,B,C,D,E,F3DOY0.71
BENBENZAMIDINEA,B,C,D,E,F3DP30.71
BENBENZAMIDINEA,B,C,D,E,F2GLM0.71
BENBENZAMIDINEA1ANB0.71
BENBENZAMIDINEA1LO60.71
BENBENZAMIDINEA1LR40.71
BENBENZAMIDINEA,B1V1M0.71
BENBENZAMIDINEA1ZHP0.71
BENBENZAMIDINEA2J9N0.71
BENBENZAMIDINEA2BMV0.71
BENBENZAMIDINEA,B2CKS0.71
BENBENZAMIDINEA2BLW0.71
BENBENZAMIDINEA1J160.71
BENBENZAMIDINEA,B1V110.71
BENBENZAMIDINEA,B,C,D,E,F3DP00.71
BENBENZAMIDINEB1RTF0.71
BENBENZAMIDINEA,B,C,D,E,F3DP10.71
BENBENZAMIDINEA,B,C,D2E580.71
BENBENZAMIDINEA2TRM0.71
BENBENZAMIDINET1V2V0.71
BENBENZAMIDINEA1MBQ0.71
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.71
BENBENZAMIDINEA2O8U0.71
BENBENZAMIDINEH1DWB0.71
BENBENZAMIDINEB,C2ASS0.71
BENBENZAMIDINEA1ANE0.71
BENBENZAMIDINEH,I2ZIQ0.71
BENBENZAMIDINEA1BIT0.71
BENBENZAMIDINEA2AIQ0.71
BENBENZAMIDINEA2OQ50.71
BENBENZAMIDINEA1ANC0.71
BENBENZAMIDINEH1JBU0.71
BENBENZAMIDINEA,B2BPQ0.71
BENBENZAMIDINEA,B,C,D2GNN0.71
BENBENZAMIDINET1V2S0.71
BENBENZAMIDINEA1H4W0.71
BENBENZAMIDINEA1OSS0.71
BENBENZAMIDINEA1W800.71
BENBENZAMIDINEA1BTY0.71
BENBENZAMIDINEH,I2ZFQ0.71
BENBENZAMIDINEA1EAX0.71
BENBENZAMIDINEA1L2E0.71
BENBENZAMIDINEA1WRI0.71
BENBENZAMIDINEA,B3BB80.71
BENBENZAMIDINEA2OXS0.71
BENBENZAMIDINEA1DPO0.71
BENBENZAMIDINET1V2L0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.74
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.81
FBA4-FLUOROBENZYLAMINEA1TNH0.81
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.81
B2FPHENYLALANINE BORONIC ACIDA,P1P060.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.81
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.81
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.75
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
PMSBENZYLSULFINIC ACIDB1PNM0.74
PMSBENZYLSULFINIC ACIDA,B1SH70.74
PMSBENZYLSULFINIC ACIDB,C1BB00.74
PMSBENZYLSULFINIC ACIDA,B1S2N0.74
PMSBENZYLSULFINIC ACIDA,B1WB80.74
PMSBENZYLSULFINIC ACIDA,B,C3CE40.74
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.74
PMSBENZYLSULFINIC ACIDA3H180.74
PMSBENZYLSULFINIC ACIDA3H170.74
PMSBENZYLSULFINIC ACIDA2CBG0.74
PMSBENZYLSULFINIC ACIDA1SUP0.74
PMSBENZYLSULFINIC ACIDA,B1V6C0.74
PMSBENZYLSULFINIC ACIDA,B1WPR0.74
PMSBENZYLSULFINIC ACIDA,B1EQ90.74
PMSBENZYLSULFINIC ACIDA,B1AUR0.74
PMSBENZYLSULFINIC ACIDA1KLT0.74
PMSBENZYLSULFINIC ACIDB,C1CA80.74
PMSBENZYLSULFINIC ACIDA2GKO0.74
PMSBENZYLSULFINIC ACIDB,C,D1BA80.74
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.84
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.84
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.84
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.84
DPKDEPRENYLA,B2BYB0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.83
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.83
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77