Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02171375
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 |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.75 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.74 | ![]() |
LPF![]() | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.71 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.72 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.71 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.71 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | ![]() |
APE![]() | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.79 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.73 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.77 | ![]() |
N9H![]() | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.7 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.79 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.79 | ![]() |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.74 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.84 | ![]() |
APL![]() | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.71 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.71 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.71 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.77 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.74 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.76 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.73 | ![]() |
PMI![]() | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.72 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.79 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.79 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.79 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.79 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.79 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.75 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.75 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.73 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.72 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.71 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.71 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.74 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.76 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.76 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.72 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.72 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.76 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.72 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.72 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.72 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.72 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.81 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.7 | ![]() |
3CC![]() | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.75 | ![]() |
CPU![]() | A,B | 1CR6 | 0.88 | ![]() | |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.76 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.81 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.81 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.81 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.74 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.7 | ![]() |
DP7![]() | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.71 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.72 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.72 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.71 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | ![]() |