Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00747843
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 |
176![]() | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)- PYRROLIDINE-3-CARBOXYLIC ACID 2,5- DICHLORO-BENZYLAMIDE | A,B | 1TA2 | 0.78 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.72 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.71 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.71 | ![]() |
21U![]() | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide | H,I | 2ZGB | 0.86 | ![]() |
S27![]() | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.7 | ![]() |
C2A![]() | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.76 | ![]() |
64U![]() | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.83 | ![]() |
F1J![]() | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.74 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.72 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.72 | ![]() |
F1K![]() | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.74 | ![]() |
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 | ![]() |
SKA![]() | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.74 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.75 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.75 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.75 | ![]() |
CLD![]() | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | A | 1AVT | 0.75 | ![]() |
GB5![]() | (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2ILP | 0.71 | ![]() |
LY1![]() | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE | A,B | 1N7I | 0.76 | ![]() |
26U![]() | N-(4-carbamimidoylbenzyl)-1-(4- methylpentanoyl)-L-prolinamide | H,I | 2ZIQ | 0.71 | ![]() |
N4T![]() | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.71 | ![]() |
10U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZFT | 0.71 | ![]() |
10U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIU | 0.71 | ![]() |
13U![]() | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHE | 0.7 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.7 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.73 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.72 | ![]() |
LAZ![]() | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.78 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.77 | ![]() |
C2B![]() | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.76 | ![]() |
L86![]() | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.71 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.85 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.7 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | ![]() |
11U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.71 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.75 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.74 | ![]() |
APE![]() | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.7 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.79 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.79 | ![]() |
24U![]() | 1-butanoyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZI2 | 0.72 | ![]() |
19U![]() | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZFP | 0.86 | ![]() |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | ![]() |
MBH![]() | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.71 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.76 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 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 | 0.72 | ![]() |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.71 | ![]() |
23U![]() | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.79 | ![]() |
HIN![]() | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.78 | ![]() |
31U![]() | D-leucyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZNK | 0.71 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.75 | ![]() |
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 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1O | 0.7 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1N | 0.7 | ![]() |
16U![]() | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)- L-prolinamide | H,I | 3DT0 | 0.86 | ![]() |
CLB![]() | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | A | 1VSB | 0.75 | ![]() |
P21![]() | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.7 | ![]() |
TTX![]() | TENTOXIN | B | 1KMH | 0.72 | ![]() |
29U![]() | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZGX | 0.72 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
22U![]() | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.83 | ![]() |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | ![]() |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.85 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.72 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.72 | ![]() |
GB4![]() | (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2IMA | 0.7 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.72 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | ![]() |