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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176827

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.75
BENBENZAMIDINEA2TIO0.95
BENBENZAMIDINEA1J150.95
BENBENZAMIDINEA,B3BEU0.95
BENBENZAMIDINET1V2U0.95
BENBENZAMIDINEA,B,C,D,E,F3CF80.95
BENBENZAMIDINEA1S0R0.95
BENBENZAMIDINEA,B1V160.95
BENBENZAMIDINEA1CC70.95
BENBENZAMIDINEA3BG80.95
BENBENZAMIDINEA1CC80.95
BENBENZAMIDINEA3PTB0.95
BENBENZAMIDINEA,B1TRM0.95
BENBENZAMIDINEA1ZHR0.95
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.95
BENBENZAMIDINEA2BLV0.95
BENBENZAMIDINEA,B,C,D,E,F2GLP0.95
BENBENZAMIDINEH,I3D490.95
BENBENZAMIDINEH,L,T2AER0.95
BENBENZAMIDINEA1J140.95
BENBENZAMIDINEA1NSA0.95
BENBENZAMIDINEA2AYW0.95
BENBENZAMIDINEA1BRA0.95
BENBENZAMIDINEA,B,C,D1A0J0.95
BENBENZAMIDINEB,C,D2AST0.95
BENBENZAMIDINEA,B2CKR0.95
BENBENZAMIDINEA1LPU0.95
BENBENZAMIDINEA1ZHM0.95
BENBENZAMIDINEA1J8A0.95
BENBENZAMIDINEA,B3BCX0.95
BENBENZAMIDINEA,B,C,D,E,F3CF90.95
BENBENZAMIDINEA,B,C,D,E,F3D040.95
BENBENZAMIDINEA,B,C,D,E,F2GLL0.95
BENBENZAMIDINEA1AND0.95
BENBENZAMIDINEA2TBS0.95
BENBENZAMIDINEA,B,C,D,E,F3DP20.95
BENBENZAMIDINET1V2M0.95
BENBENZAMIDINEA2EEK0.95
BENBENZAMIDINEH,I2ZI20.95
BENBENZAMIDINET1V2J0.95
BENBENZAMIDINEH1KLI0.95
BENBENZAMIDINEA1CE50.95
BENBENZAMIDINEA,B,C,D,E,F3B7J0.95
BENBENZAMIDINEB,Y2PKA0.95
BENBENZAMIDINEA2VJ00.95
BENBENZAMIDINEA3B3J0.95
BENBENZAMIDINEA,B,C,D,E,F3DOY0.95
BENBENZAMIDINEA,B,C,D,E,F3DP30.95
BENBENZAMIDINEA,B,C,D,E,F2GLM0.95
BENBENZAMIDINEA1ANB0.95
BENBENZAMIDINEA1LO60.95
BENBENZAMIDINEA1LR40.95
BENBENZAMIDINEA,B1V1M0.95
BENBENZAMIDINEA1ZHP0.95
BENBENZAMIDINEA2J9N0.95
BENBENZAMIDINEA2BMV0.95
BENBENZAMIDINEA,B2CKS0.95
BENBENZAMIDINEA2BLW0.95
BENBENZAMIDINEA1J160.95
BENBENZAMIDINEA,B1V110.95
BENBENZAMIDINEA,B,C,D,E,F3DP00.95
BENBENZAMIDINEB1RTF0.95
BENBENZAMIDINEA,B,C,D,E,F3DP10.95
BENBENZAMIDINEA,B,C,D2E580.95
BENBENZAMIDINEA2TRM0.95
BENBENZAMIDINET1V2V0.95
BENBENZAMIDINEA1MBQ0.95
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.95
BENBENZAMIDINEA2O8U0.95
BENBENZAMIDINEH1DWB0.95
BENBENZAMIDINEB,C2ASS0.95
BENBENZAMIDINEA1ANE0.95
BENBENZAMIDINEH,I2ZIQ0.95
BENBENZAMIDINEA1BIT0.95
BENBENZAMIDINEA2AIQ0.95
BENBENZAMIDINEA2OQ50.95
BENBENZAMIDINEA1ANC0.95
BENBENZAMIDINEH1JBU0.95
BENBENZAMIDINEA,B2BPQ0.95
BENBENZAMIDINEA,B,C,D2GNN0.95
BENBENZAMIDINET1V2S0.95
BENBENZAMIDINEA1H4W0.95
BENBENZAMIDINEA1OSS0.95
BENBENZAMIDINEA1W800.95
BENBENZAMIDINEA1BTY0.95
BENBENZAMIDINEH,I2ZFQ0.95
BENBENZAMIDINEA1EAX0.95
BENBENZAMIDINEA1L2E0.95
BENBENZAMIDINEA1WRI0.95
BENBENZAMIDINEA,B3BB80.95
BENBENZAMIDINEA2OXS0.95
BENBENZAMIDINEA1DPO0.95
BENBENZAMIDINET1V2L0.95
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.77
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.72
BRNBERENILA,B268D0.76
BRNBERENILA,B1D630.76
BRNBERENILA,D,E2GBY0.76
BRNBERENILA2DBE0.76
BRNBERENILA2GVR0.76
BZZBENZYLHYDRAZINEA,B2E2V0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.8
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.72
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.84
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
BAMBENZAMIDINEU1F5K0.95
BAMBENZAMIDINEX2BY80.95
BAMBENZAMIDINEB2PSM0.95
BAMBENZAMIDINEX2BY90.95
BAMBENZAMIDINEA1C1N0.95
BAMBENZAMIDINEX2BY60.95
BAMBENZAMIDINEH,I1C5O0.95
BAMBENZAMIDINEA1XX40.95
BAMBENZAMIDINEA1HJ80.95
BAMBENZAMIDINEA1C5P0.95
BAMBENZAMIDINEB1C5Z0.95
BAMBENZAMIDINEA,B1ZVW0.95
BAMBENZAMIDINEA2ANW0.95
BAMBENZAMIDINEA2ANY0.95
BAMBENZAMIDINEX2BYA0.95
BAMBENZAMIDINEA1TIO0.95
BAMBENZAMIDINEX2BY50.95
BAMBENZAMIDINEX2BY70.95
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
271N-methyl-1-phenylmethanamineX2RBT0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.8
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.72
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.84
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.77
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.82
PBZP-AMINO BENZAMIDINEA1RFN0.82
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.82
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.82
PBZP-AMINO BENZAMIDINEA1FIZ0.82
PBZP-AMINO BENZAMIDINEA1FIW0.82
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.82
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.79
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.82
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.82
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7