Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01293494
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 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.72 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.76 | ![]() |
BFB![]() | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.72 | ![]() |
F59![]() | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.75 | ![]() |
LAZ![]() | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.74 | ![]() |
BAU![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1C | 0.75 | ![]() |
BAU![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D | 3EUF | 0.75 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.78 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.72 | ![]() |
EG1![]() | AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNW | 0.74 | ![]() |
Y14![]() | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.75 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.85 | ![]() |
NBX![]() | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.73 | ![]() |
MKC![]() | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.76 | ![]() |
SEI![]() | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0F | 0.78 | ![]() |
SEI![]() | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0E | 0.78 | ![]() |
STB![]() | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.7 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.71 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.72 | ![]() |
OTG![]() | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.72 | ![]() |
YC2![]() | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.71 | ![]() |
BAG![]() | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.74 | ![]() |
P21![]() | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.74 | ![]() |
ARQ![]() | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.71 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.73 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.73 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.73 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.73 | ![]() |
M1N![]() | (1R)-3-METHYL-1-{[N-(MORPHOLIN- 4-YLCARBONYL)-3-(1-NAPHTHYL)-D- ALANYL]AMINO}BUTYLBORONIC ACID | 2,C,E,G,H,J, L,N,P,R,T,V, X,Z | 2FHH | 0.72 | ![]() |
I06![]() | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.71 | ![]() |
BSB![]() | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | ![]() |
BZD![]() | A | 1K06 | 0.8 | ![]() | |
BZD![]() | A | 1K08 | 0.8 | ![]() | |
BZD![]() | A | 2QNB | 0.8 | ![]() | |
C4P![]() | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.71 | ![]() |
SAB![]() | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.72 | ![]() |
B17![]() | {1-[4-(AMINOSULFONYL)PHENYL]-11- [(CARBOXY-KAPPAO)METHYL]-1-OXO- 5,8-DIOXA-2,11-DIAZATRIDECAN-13- OATO(2-)-KAPPAO~13~}COPPER | A | 2FOS | 0.72 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.75 | ![]() |
F2I![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A | 2IQG | 0.7 | ![]() |
F68![]() | N-{[(4-methylphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QLM | 0.8 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU5 | 0.74 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU2 | 0.74 | ![]() |
ICX![]() | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.75 | ![]() |
SC7![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-[(2R,4S)-4-ETHOXYPIPERIDIN-2- YL]-2-HYDROXYETHYL}-5-METHYL-N,N- DIPROPYLISOPHTHALAMIDE | A,B | 2QP8 | 0.72 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.78 | ![]() |
C90![]() | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}- 4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide | A | 2JT2 | 0.77 | ![]() |
GCA![]() | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.74 | ![]() |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C | 1W2X | 0.71 | ![]() |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C,D | 3FF6 | 0.71 | ![]() |
314![]() | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.72 | ![]() |
EG2![]() | AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNX | 0.77 | ![]() |
F55![]() | N-{[(4-chlorophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN3 | 0.74 | ![]() |
EG3![]() | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNY | 0.72 | ![]() |
J54![]() | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.7 | ![]() |
RXA![]() | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.72 | ![]() |