Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00612113
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 |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.75 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.72 | ![]() |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.72 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.72 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | ![]() |
3CC![]() | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.71 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A | 2PIL | 0.71 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.71 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.71 | ![]() |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.75 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.71 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.72 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.77 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.75 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.78 | ![]() |
419![]() | N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl- 3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol- 6-yl]-2,2-diphenylacetamide | A,B | 3F7H | 0.77 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.75 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.75 | ![]() |
HBC![]() | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.7 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.79 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.75 | ![]() |
IPO![]() | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.72 | ![]() |
CPU![]() | A,B | 1CR6 | 0.7 | ![]() | |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | ![]() |
BR4![]() | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.74 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.74 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.77 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.7 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.7 | ![]() |
DP7![]() | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.7 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.75 | ![]() |
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 | ![]() |
DFM![]() | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]- L-PHENYLALANINAMIDE | A | 2CMC | 0.7 | ![]() |
DI3![]() | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO- GLYCINE-OH | H | 1LHE | 0.7 | ![]() |
KEL![]() | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.76 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.73 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.78 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.78 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.76 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.78 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.78 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1OB2 | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDG | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDK | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1M90 | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | P | 3SGA | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDM | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDV | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | 1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z | 1Q86 | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDY | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 3FIC | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDH | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KE2 | 0.74 | ![]() |
CT2![]() | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.7 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.7 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.7 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.76 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | ![]() |
PPB![]() | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)- PYRROLIDINE-2-CARBONYL]-AMINO}- 2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | A | 1AUJ | 0.7 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.72 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.77 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.71 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
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 | 0.75 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.77 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.7 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.77 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.73 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.73 | ![]() |
TIO![]() | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.72 | ![]() |
565![]() | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.72 | ![]() |
JNH![]() | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.77 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.77 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.77 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.77 | ![]() |
HIN![]() | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.75 | ![]() |
ZAE![]() | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.71 | ![]() |
IPP![]() | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.8 | ![]() |