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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232140

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,B2C670.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.76
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
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
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
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
271N-methyl-1-phenylmethanamineX2RBT0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
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
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.76
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.75
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.7
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.83
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
DPKDEPRENYLA,B2BYB0.74
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.74
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.74
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.88
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.73
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71