Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004896
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
31U | D-leucyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZNK | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
BEN | BENZAMIDINE | A | 2TIO | 0.77 | |
BEN | BENZAMIDINE | A | 1J15 | 0.77 | |
BEN | BENZAMIDINE | A,B | 3BEU | 0.77 | |
BEN | BENZAMIDINE | T | 1V2U | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.77 | |
BEN | BENZAMIDINE | A | 1S0R | 0.77 | |
BEN | BENZAMIDINE | A,B | 1V16 | 0.77 | |
BEN | BENZAMIDINE | A | 1CC7 | 0.77 | |
BEN | BENZAMIDINE | A | 3BG8 | 0.77 | |
BEN | BENZAMIDINE | A | 1CC8 | 0.77 | |
BEN | BENZAMIDINE | A | 3PTB | 0.77 | |
BEN | BENZAMIDINE | A,B | 1TRM | 0.77 | |
BEN | BENZAMIDINE | A | 1ZHR | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.77 | |
BEN | BENZAMIDINE | A | 2BLV | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.77 | |
BEN | BENZAMIDINE | H,I | 3D49 | 0.77 | |
BEN | BENZAMIDINE | H,L,T | 2AER | 0.77 | |
BEN | BENZAMIDINE | A | 1J14 | 0.77 | |
BEN | BENZAMIDINE | A | 1NSA | 0.77 | |
BEN | BENZAMIDINE | A | 2AYW | 0.77 | |
BEN | BENZAMIDINE | A | 1BRA | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D | 1A0J | 0.77 | |
BEN | BENZAMIDINE | B,C,D | 2AST | 0.77 | |
BEN | BENZAMIDINE | A,B | 2CKR | 0.77 | |
BEN | BENZAMIDINE | A | 1LPU | 0.77 | |
BEN | BENZAMIDINE | A | 1ZHM | 0.77 | |
BEN | BENZAMIDINE | A | 1J8A | 0.77 | |
BEN | BENZAMIDINE | A,B | 3BCX | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.77 | |
BEN | BENZAMIDINE | A | 1AND | 0.77 | |
BEN | BENZAMIDINE | A | 2TBS | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.77 | |
BEN | BENZAMIDINE | T | 1V2M | 0.77 | |
BEN | BENZAMIDINE | A | 2EEK | 0.77 | |
BEN | BENZAMIDINE | H,I | 2ZI2 | 0.77 | |
BEN | BENZAMIDINE | T | 1V2J | 0.77 | |
BEN | BENZAMIDINE | H | 1KLI | 0.77 | |
BEN | BENZAMIDINE | A | 1CE5 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.77 | |
BEN | BENZAMIDINE | B,Y | 2PKA | 0.77 | |
BEN | BENZAMIDINE | A | 2VJ0 | 0.77 | |
BEN | BENZAMIDINE | A | 3B3J | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.77 | |
BEN | BENZAMIDINE | A | 1ANB | 0.77 | |
BEN | BENZAMIDINE | A | 1LO6 | 0.77 | |
BEN | BENZAMIDINE | A | 1LR4 | 0.77 | |
BEN | BENZAMIDINE | A,B | 1V1M | 0.77 | |
BEN | BENZAMIDINE | A | 1ZHP | 0.77 | |
BEN | BENZAMIDINE | A | 2J9N | 0.77 | |
BEN | BENZAMIDINE | A | 2BMV | 0.77 | |
BEN | BENZAMIDINE | A,B | 2CKS | 0.77 | |
BEN | BENZAMIDINE | A | 2BLW | 0.77 | |
BEN | BENZAMIDINE | A | 1J16 | 0.77 | |
BEN | BENZAMIDINE | A,B | 1V11 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.77 | |
BEN | BENZAMIDINE | B | 1RTF | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D | 2E58 | 0.77 | |
BEN | BENZAMIDINE | A | 2TRM | 0.77 | |
BEN | BENZAMIDINE | T | 1V2V | 0.77 | |
BEN | BENZAMIDINE | A | 1MBQ | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.77 | |
BEN | BENZAMIDINE | A | 2O8U | 0.77 | |
BEN | BENZAMIDINE | H | 1DWB | 0.77 | |
BEN | BENZAMIDINE | B,C | 2ASS | 0.77 | |
BEN | BENZAMIDINE | A | 1ANE | 0.77 | |
BEN | BENZAMIDINE | H,I | 2ZIQ | 0.77 | |
BEN | BENZAMIDINE | A | 1BIT | 0.77 | |
BEN | BENZAMIDINE | A | 2AIQ | 0.77 | |
BEN | BENZAMIDINE | A | 2OQ5 | 0.77 | |
BEN | BENZAMIDINE | A | 1ANC | 0.77 | |
BEN | BENZAMIDINE | H | 1JBU | 0.77 | |
BEN | BENZAMIDINE | A,B | 2BPQ | 0.77 | |
BEN | BENZAMIDINE | A,B,C,D | 2GNN | 0.77 | |
BEN | BENZAMIDINE | T | 1V2S | 0.77 | |
BEN | BENZAMIDINE | A | 1H4W | 0.77 | |
BEN | BENZAMIDINE | A | 1OSS | 0.77 | |
BEN | BENZAMIDINE | A | 1W80 | 0.77 | |
BEN | BENZAMIDINE | A | 1BTY | 0.77 | |
BEN | BENZAMIDINE | H,I | 2ZFQ | 0.77 | |
BEN | BENZAMIDINE | A | 1EAX | 0.77 | |
BEN | BENZAMIDINE | A | 1L2E | 0.77 | |
BEN | BENZAMIDINE | A | 1WRI | 0.77 | |
BEN | BENZAMIDINE | A,B | 3BB8 | 0.77 | |
BEN | BENZAMIDINE | A | 2OXS | 0.77 | |
BEN | BENZAMIDINE | A | 1DPO | 0.77 | |
BEN | BENZAMIDINE | T | 1V2L | 0.77 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.72 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.72 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.84 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.84 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.84 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.78 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.7 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.71 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.71 | |
ABN | BENZYLAMINE | A | 1UTN | 0.71 | |
ABN | BENZYLAMINE | A | 1N6X | 0.71 | |
ABN | BENZYLAMINE | A | 2BZA | 0.71 | |
ABN | BENZYLAMINE | A | 2EUS | 0.71 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.71 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.71 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.73 | |
26U | N-(4-carbamimidoylbenzyl)-1-(4- methylpentanoyl)-L-prolinamide | H,I | 2ZIQ | 0.72 | |
BAM | BENZAMIDINE | U | 1F5K | 0.77 | |
BAM | BENZAMIDINE | X | 2BY8 | 0.77 | |
BAM | BENZAMIDINE | B | 2PSM | 0.77 | |
BAM | BENZAMIDINE | X | 2BY9 | 0.77 | |
BAM | BENZAMIDINE | A | 1C1N | 0.77 | |
BAM | BENZAMIDINE | X | 2BY6 | 0.77 | |
BAM | BENZAMIDINE | H,I | 1C5O | 0.77 | |
BAM | BENZAMIDINE | A | 1XX4 | 0.77 | |
BAM | BENZAMIDINE | A | 1HJ8 | 0.77 | |
BAM | BENZAMIDINE | A | 1C5P | 0.77 | |
BAM | BENZAMIDINE | B | 1C5Z | 0.77 | |
BAM | BENZAMIDINE | A,B | 1ZVW | 0.77 | |
BAM | BENZAMIDINE | A | 2ANW | 0.77 | |
BAM | BENZAMIDINE | A | 2ANY | 0.77 | |
BAM | BENZAMIDINE | X | 2BYA | 0.77 | |
BAM | BENZAMIDINE | A | 1TIO | 0.77 | |
BAM | BENZAMIDINE | X | 2BY5 | 0.77 | |
BAM | BENZAMIDINE | X | 2BY7 | 0.77 | |
29U | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZGX | 0.73 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.73 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.73 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZHD | 0.71 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHW | 0.71 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZFS | 0.71 | |
A21 | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.72 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.7 | |
11U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.72 | |
13U | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHE | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.77 | |
L13 | 4-AMINO-5-(2-METHYLPHENYL)-2,4- DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE | A | 2HB9 | 0.71 | |
24U | 1-butanoyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZI2 | 0.73 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZFT | 0.72 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIU | 0.72 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.71 |