Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02097237
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 |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.71 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.86 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.86 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.72 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.72 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.82 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.82 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.74 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.7 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TIO | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J15 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BEU | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2U | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1S0R | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V16 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC7 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 3BG8 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC8 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 3PTB | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1TRM | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHR | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLV | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 3D49 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H,L,T | 2AER | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J14 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1NSA | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AYW | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BRA | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 1A0J | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | B,C,D | 2AST | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKR | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LPU | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHM | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J8A | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BCX | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1AND | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TBS | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2M | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2EEK | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZI2 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2J | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H | 1KLI | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CE5 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | B,Y | 2PKA | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2VJ0 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 3B3J | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANB | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LO6 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LR4 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V1M | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHP | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2J9N | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BMV | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKS | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLW | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J16 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V11 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | B | 1RTF | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2E58 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TRM | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2V | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1MBQ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2O8U | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H | 1DWB | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | B,C | 2ASS | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANE | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZIQ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BIT | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AIQ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OQ5 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANC | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H | 1JBU | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2BPQ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2GNN | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2S | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1H4W | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1OSS | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1W80 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BTY | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZFQ | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1EAX | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1L2E | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1WRI | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BB8 | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OXS | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | A | 1DPO | 0.72 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2L | 0.72 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.76 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.76 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.76 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.76 | ![]() |
BZZ![]() | BENZYLHYDRAZINE | A,B | 2E2V | 0.78 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.78 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.78 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.77 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.71 | ![]() |
GVQ![]() | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.7 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.75 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.7 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.7 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.7 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.7 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.79 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.75 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.75 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | U | 1F5K | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY8 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | B | 2PSM | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY9 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C1N | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY6 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | H,I | 1C5O | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 1XX4 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 1HJ8 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C5P | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | B | 1C5Z | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A,B | 1ZVW | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANW | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANY | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BYA | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | A | 1TIO | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY5 | 0.72 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY7 | 0.72 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.73 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.73 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.73 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.83 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.77 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.77 | ![]() |
C2B![]() | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.77 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.77 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.77 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.72 | ![]() |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.76 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.71 | ![]() |
C2A![]() | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.73 | ![]() |
BHY![]() | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.77 | ![]() |
MFG![]() | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.83 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.83 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.78 | ![]() |
ZYX![]() | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.76 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.73 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 | ![]() |
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 | ![]() |