Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771445
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 |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.76 | |
CBT | N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4- TETRAAZOL-5-AMINE | A | 1PZO | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.78 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.78 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.76 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.76 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.76 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.76 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.89 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.89 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.89 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.78 | |
4CM | (4-CARBAMIMIDOYLPHENYL)-METHYL- PHOSPHINIC ACID | A | 1TX7 | 0.71 | |
CPU | A,B | 1CR6 | 0.74 | ||
BAM | BENZAMIDINE | U | 1F5K | 0.79 | |
BAM | BENZAMIDINE | X | 2BY8 | 0.79 | |
BAM | BENZAMIDINE | B | 2PSM | 0.79 | |
BAM | BENZAMIDINE | X | 2BY9 | 0.79 | |
BAM | BENZAMIDINE | A | 1C1N | 0.79 | |
BAM | BENZAMIDINE | X | 2BY6 | 0.79 | |
BAM | BENZAMIDINE | H,I | 1C5O | 0.79 | |
BAM | BENZAMIDINE | A | 1XX4 | 0.79 | |
BAM | BENZAMIDINE | A | 1HJ8 | 0.79 | |
BAM | BENZAMIDINE | A | 1C5P | 0.79 | |
BAM | BENZAMIDINE | B | 1C5Z | 0.79 | |
BAM | BENZAMIDINE | A,B | 1ZVW | 0.79 | |
BAM | BENZAMIDINE | A | 2ANW | 0.79 | |
BAM | BENZAMIDINE | A | 2ANY | 0.79 | |
BAM | BENZAMIDINE | X | 2BYA | 0.79 | |
BAM | BENZAMIDINE | A | 1TIO | 0.79 | |
BAM | BENZAMIDINE | X | 2BY5 | 0.79 | |
BAM | BENZAMIDINE | X | 2BY7 | 0.79 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.81 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.81 | |
ABN | BENZYLAMINE | A | 1UTN | 0.81 | |
ABN | BENZYLAMINE | A | 1N6X | 0.81 | |
ABN | BENZYLAMINE | A | 2BZA | 0.81 | |
ABN | BENZYLAMINE | A | 2EUS | 0.81 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.81 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.81 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.77 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.77 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.79 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.76 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.76 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.88 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.77 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.72 | |
A21 | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.7 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.73 | |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.71 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
BEN | BENZAMIDINE | A | 2TIO | 0.79 | |
BEN | BENZAMIDINE | A | 1J15 | 0.79 | |
BEN | BENZAMIDINE | A,B | 3BEU | 0.79 | |
BEN | BENZAMIDINE | T | 1V2U | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.79 | |
BEN | BENZAMIDINE | A | 1S0R | 0.79 | |
BEN | BENZAMIDINE | A,B | 1V16 | 0.79 | |
BEN | BENZAMIDINE | A | 1CC7 | 0.79 | |
BEN | BENZAMIDINE | A | 3BG8 | 0.79 | |
BEN | BENZAMIDINE | A | 1CC8 | 0.79 | |
BEN | BENZAMIDINE | A | 3PTB | 0.79 | |
BEN | BENZAMIDINE | A,B | 1TRM | 0.79 | |
BEN | BENZAMIDINE | A | 1ZHR | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.79 | |
BEN | BENZAMIDINE | A | 2BLV | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.79 | |
BEN | BENZAMIDINE | H,I | 3D49 | 0.79 | |
BEN | BENZAMIDINE | H,L,T | 2AER | 0.79 | |
BEN | BENZAMIDINE | A | 1J14 | 0.79 | |
BEN | BENZAMIDINE | A | 1NSA | 0.79 | |
BEN | BENZAMIDINE | A | 2AYW | 0.79 | |
BEN | BENZAMIDINE | A | 1BRA | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D | 1A0J | 0.79 | |
BEN | BENZAMIDINE | B,C,D | 2AST | 0.79 | |
BEN | BENZAMIDINE | A,B | 2CKR | 0.79 | |
BEN | BENZAMIDINE | A | 1LPU | 0.79 | |
BEN | BENZAMIDINE | A | 1ZHM | 0.79 | |
BEN | BENZAMIDINE | A | 1J8A | 0.79 | |
BEN | BENZAMIDINE | A,B | 3BCX | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.79 | |
BEN | BENZAMIDINE | A | 1AND | 0.79 | |
BEN | BENZAMIDINE | A | 2TBS | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.79 | |
BEN | BENZAMIDINE | T | 1V2M | 0.79 | |
BEN | BENZAMIDINE | A | 2EEK | 0.79 | |
BEN | BENZAMIDINE | H,I | 2ZI2 | 0.79 | |
BEN | BENZAMIDINE | T | 1V2J | 0.79 | |
BEN | BENZAMIDINE | H | 1KLI | 0.79 | |
BEN | BENZAMIDINE | A | 1CE5 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.79 | |
BEN | BENZAMIDINE | B,Y | 2PKA | 0.79 | |
BEN | BENZAMIDINE | A | 2VJ0 | 0.79 | |
BEN | BENZAMIDINE | A | 3B3J | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.79 | |
BEN | BENZAMIDINE | A | 1ANB | 0.79 | |
BEN | BENZAMIDINE | A | 1LO6 | 0.79 | |
BEN | BENZAMIDINE | A | 1LR4 | 0.79 | |
BEN | BENZAMIDINE | A,B | 1V1M | 0.79 | |
BEN | BENZAMIDINE | A | 1ZHP | 0.79 | |
BEN | BENZAMIDINE | A | 2J9N | 0.79 | |
BEN | BENZAMIDINE | A | 2BMV | 0.79 | |
BEN | BENZAMIDINE | A,B | 2CKS | 0.79 | |
BEN | BENZAMIDINE | A | 2BLW | 0.79 | |
BEN | BENZAMIDINE | A | 1J16 | 0.79 | |
BEN | BENZAMIDINE | A,B | 1V11 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.79 | |
BEN | BENZAMIDINE | B | 1RTF | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D | 2E58 | 0.79 | |
BEN | BENZAMIDINE | A | 2TRM | 0.79 | |
BEN | BENZAMIDINE | T | 1V2V | 0.79 | |
BEN | BENZAMIDINE | A | 1MBQ | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.79 | |
BEN | BENZAMIDINE | A | 2O8U | 0.79 | |
BEN | BENZAMIDINE | H | 1DWB | 0.79 | |
BEN | BENZAMIDINE | B,C | 2ASS | 0.79 | |
BEN | BENZAMIDINE | A | 1ANE | 0.79 | |
BEN | BENZAMIDINE | H,I | 2ZIQ | 0.79 | |
BEN | BENZAMIDINE | A | 1BIT | 0.79 | |
BEN | BENZAMIDINE | A | 2AIQ | 0.79 | |
BEN | BENZAMIDINE | A | 2OQ5 | 0.79 | |
BEN | BENZAMIDINE | A | 1ANC | 0.79 | |
BEN | BENZAMIDINE | H | 1JBU | 0.79 | |
BEN | BENZAMIDINE | A,B | 2BPQ | 0.79 | |
BEN | BENZAMIDINE | A,B,C,D | 2GNN | 0.79 | |
BEN | BENZAMIDINE | T | 1V2S | 0.79 | |
BEN | BENZAMIDINE | A | 1H4W | 0.79 | |
BEN | BENZAMIDINE | A | 1OSS | 0.79 | |
BEN | BENZAMIDINE | A | 1W80 | 0.79 | |
BEN | BENZAMIDINE | A | 1BTY | 0.79 | |
BEN | BENZAMIDINE | H,I | 2ZFQ | 0.79 | |
BEN | BENZAMIDINE | A | 1EAX | 0.79 | |
BEN | BENZAMIDINE | A | 1L2E | 0.79 | |
BEN | BENZAMIDINE | A | 1WRI | 0.79 | |
BEN | BENZAMIDINE | A,B | 3BB8 | 0.79 | |
BEN | BENZAMIDINE | A | 2OXS | 0.79 | |
BEN | BENZAMIDINE | A | 1DPO | 0.79 | |
BEN | BENZAMIDINE | T | 1V2L | 0.79 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.82 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.76 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.76 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.82 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.72 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
FA4 | SM-25453 | A,B | 2D1O | 0.7 | |
FA4 | SM-25453 | A,B | 2D1N | 0.7 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.76 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.8 | |
BAG | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.72 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.76 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.76 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.72 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.72 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.74 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.76 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.82 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.82 |