Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289542
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 | 0.76 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.83 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.77 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.71 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.71 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.78 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.74 | ![]() |
HIN![]() | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.71 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.7 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.7 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.71 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.71 | ![]() |
565![]() | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.71 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.71 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.71 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.74 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.74 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.77 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.78 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.73 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.73 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | ![]() |
APL![]() | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.78 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.78 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.78 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.73 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.71 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.7 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.74 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.71 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.71 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.71 | ![]() |
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 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.71 | ![]() |
TTX![]() | TENTOXIN | B | 1KMH | 0.75 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.74 | ![]() |
CPU![]() | A,B | 1CR6 | 0.76 | ![]() | |
APE![]() | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.73 | ![]() |
TIO![]() | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.7 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.7 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.73 | ![]() |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.71 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.73 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.77 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.73 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | ![]() |
357![]() | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]- 6-METHYL-4-(3-METHYLBENZYL)PYRIDIN- 2(1H)-ONE | A | 2BAN | 0.71 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.75 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.75 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.75 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.74 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.74 | ![]() |
GAN![]() | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.73 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.8 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | ![]() |