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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03765024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
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
BAMBENZAMIDINEU1F5K0.76
BAMBENZAMIDINEX2BY80.76
BAMBENZAMIDINEB2PSM0.76
BAMBENZAMIDINEX2BY90.76
BAMBENZAMIDINEA1C1N0.76
BAMBENZAMIDINEX2BY60.76
BAMBENZAMIDINEH,I1C5O0.76
BAMBENZAMIDINEA1XX40.76
BAMBENZAMIDINEA1HJ80.76
BAMBENZAMIDINEA1C5P0.76
BAMBENZAMIDINEB1C5Z0.76
BAMBENZAMIDINEA,B1ZVW0.76
BAMBENZAMIDINEA2ANW0.76
BAMBENZAMIDINEA2ANY0.76
BAMBENZAMIDINEX2BYA0.76
BAMBENZAMIDINEA1TIO0.76
BAMBENZAMIDINEX2BY50.76
BAMBENZAMIDINEX2BY70.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
DPKDEPRENYLA,B2BYB0.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
CPUA,B1CR60.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
BENBENZAMIDINEA2TIO0.76
BENBENZAMIDINEA1J150.76
BENBENZAMIDINEA,B3BEU0.76
BENBENZAMIDINET1V2U0.76
BENBENZAMIDINEA,B,C,D,E,F3CF80.76
BENBENZAMIDINEA1S0R0.76
BENBENZAMIDINEA,B1V160.76
BENBENZAMIDINEA1CC70.76
BENBENZAMIDINEA3BG80.76
BENBENZAMIDINEA1CC80.76
BENBENZAMIDINEA3PTB0.76
BENBENZAMIDINEA,B1TRM0.76
BENBENZAMIDINEA1ZHR0.76
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.76
BENBENZAMIDINEA2BLV0.76
BENBENZAMIDINEA,B,C,D,E,F2GLP0.76
BENBENZAMIDINEH,I3D490.76
BENBENZAMIDINEH,L,T2AER0.76
BENBENZAMIDINEA1J140.76
BENBENZAMIDINEA1NSA0.76
BENBENZAMIDINEA2AYW0.76
BENBENZAMIDINEA1BRA0.76
BENBENZAMIDINEA,B,C,D1A0J0.76
BENBENZAMIDINEB,C,D2AST0.76
BENBENZAMIDINEA,B2CKR0.76
BENBENZAMIDINEA1LPU0.76
BENBENZAMIDINEA1ZHM0.76
BENBENZAMIDINEA1J8A0.76
BENBENZAMIDINEA,B3BCX0.76
BENBENZAMIDINEA,B,C,D,E,F3CF90.76
BENBENZAMIDINEA,B,C,D,E,F3D040.76
BENBENZAMIDINEA,B,C,D,E,F2GLL0.76
BENBENZAMIDINEA1AND0.76
BENBENZAMIDINEA2TBS0.76
BENBENZAMIDINEA,B,C,D,E,F3DP20.76
BENBENZAMIDINET1V2M0.76
BENBENZAMIDINEA2EEK0.76
BENBENZAMIDINEH,I2ZI20.76
BENBENZAMIDINET1V2J0.76
BENBENZAMIDINEH1KLI0.76
BENBENZAMIDINEA1CE50.76
BENBENZAMIDINEA,B,C,D,E,F3B7J0.76
BENBENZAMIDINEB,Y2PKA0.76
BENBENZAMIDINEA2VJ00.76
BENBENZAMIDINEA3B3J0.76
BENBENZAMIDINEA,B,C,D,E,F3DOY0.76
BENBENZAMIDINEA,B,C,D,E,F3DP30.76
BENBENZAMIDINEA,B,C,D,E,F2GLM0.76
BENBENZAMIDINEA1ANB0.76
BENBENZAMIDINEA1LO60.76
BENBENZAMIDINEA1LR40.76
BENBENZAMIDINEA,B1V1M0.76
BENBENZAMIDINEA1ZHP0.76
BENBENZAMIDINEA2J9N0.76
BENBENZAMIDINEA2BMV0.76
BENBENZAMIDINEA,B2CKS0.76
BENBENZAMIDINEA2BLW0.76
BENBENZAMIDINEA1J160.76
BENBENZAMIDINEA,B1V110.76
BENBENZAMIDINEA,B,C,D,E,F3DP00.76
BENBENZAMIDINEB1RTF0.76
BENBENZAMIDINEA,B,C,D,E,F3DP10.76
BENBENZAMIDINEA,B,C,D2E580.76
BENBENZAMIDINEA2TRM0.76
BENBENZAMIDINET1V2V0.76
BENBENZAMIDINEA1MBQ0.76
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.76
BENBENZAMIDINEA2O8U0.76
BENBENZAMIDINEH1DWB0.76
BENBENZAMIDINEB,C2ASS0.76
BENBENZAMIDINEA1ANE0.76
BENBENZAMIDINEH,I2ZIQ0.76
BENBENZAMIDINEA1BIT0.76
BENBENZAMIDINEA2AIQ0.76
BENBENZAMIDINEA2OQ50.76
BENBENZAMIDINEA1ANC0.76
BENBENZAMIDINEH1JBU0.76
BENBENZAMIDINEA,B2BPQ0.76
BENBENZAMIDINEA,B,C,D2GNN0.76
BENBENZAMIDINET1V2S0.76
BENBENZAMIDINEA1H4W0.76
BENBENZAMIDINEA1OSS0.76
BENBENZAMIDINEA1W800.76
BENBENZAMIDINEA1BTY0.76
BENBENZAMIDINEH,I2ZFQ0.76
BENBENZAMIDINEA1EAX0.76
BENBENZAMIDINEA1L2E0.76
BENBENZAMIDINEA1WRI0.76
BENBENZAMIDINEA,B3BB80.76
BENBENZAMIDINEA2OXS0.76
BENBENZAMIDINEA1DPO0.76
BENBENZAMIDINET1V2L0.76
271N-methyl-1-phenylmethanamineX2RBT0.74
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.75
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71