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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
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
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
PRY2-PROPYL-ANILINEA1OWY0.72
BZZBENZYLHYDRAZINEA,B2E2V0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.79
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.72
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
271N-methyl-1-phenylmethanamineX2RBT0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.84
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.84
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.7
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
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.76
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.76
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.71
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
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.86
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.82
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.72
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
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
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.79
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.8
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7