Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230910
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 |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.76 | ![]() |
IPP![]() | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.72 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.72 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.72 | ![]() |
PLH![]() | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.72 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.73 | ![]() |
DI5![]() | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.7 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.7 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.7 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.7 | ![]() |
605![]() | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.72 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.77 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.77 | ![]() |
ZAE![]() | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.75 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.71 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.71 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.72 | ![]() |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.74 | ![]() |
565![]() | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.71 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | ![]() |
KR2![]() | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.74 | ![]() |
STB![]() | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.72 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.81 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.81 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.81 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.84 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | ![]() |
4AF![]() | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.75 | ![]() |
PCS![]() | PHENYLALANYLMETHYLCHLORIDE | B,D | 1DLK | 0.74 | ![]() |
PCS![]() | PHENYLALANYLMETHYLCHLORIDE | A | 1XQX | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 1HSR | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 3GCK | 0.72 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.72 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.74 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.7 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.77 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.74 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.75 | ![]() |
R01![]() | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.72 | ![]() |
SAB![]() | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.74 | ![]() |
TTX![]() | TENTOXIN | B | 1KMH | 0.74 | ![]() |
BAG![]() | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.74 | ![]() |
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 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1OB2 | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDG | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDK | 0.75 | ![]() |
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 | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | P | 3SGA | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDM | 0.75 | ![]() |
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 | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDV | 0.75 | ![]() |
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 | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDY | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 3FIC | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDH | 0.75 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KE2 | 0.75 | ![]() |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.71 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.74 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.84 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | ![]() |
MEA![]() | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.75 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.75 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.75 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.75 | ![]() |
HBC![]() | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.76 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.77 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.7 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.73 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.73 | ![]() |
RXA![]() | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.7 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.81 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.7 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.7 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.72 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.81 | ![]() |
DI4![]() | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | ![]() |
LAZ![]() | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 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 | 0.75 | ![]() |
HIN![]() | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.73 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.75 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.75 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.8 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.72 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.72 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.74 | ![]() |
BSB![]() | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.7 | ![]() |
DI2![]() | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 | ![]() |