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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.72
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.72
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.85
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
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
271N-methyl-1-phenylmethanamineX2RBT0.76
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.7
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.7
DPKDEPRENYLA,B2BYB0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.74
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
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.75
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.74
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.81
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.75