Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01992985
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 |
EG1 | AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNW | 0.75 | |
CLD | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | A | 1AVT | 0.74 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.77 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.77 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.72 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.72 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.71 | |
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 | 0.76 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.71 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.78 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.8 | |
EG3 | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNY | 0.71 | |
21U | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide | H,I | 2ZGB | 0.75 | |
22U | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.74 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.95 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.72 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.8 | |
P21 | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.81 | |
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 | 0.72 | |
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 | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.76 | |
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 | 0.71 | |
16U | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)- L-prolinamide | H,I | 3DT0 | 0.75 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.74 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.78 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.7 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.7 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.71 | |
64U | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.74 | |
ICL | [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)- 2-METHYL-PROPYL]-CARBAMIC ACID TERT- BUTYL ESTER | A | 1INC | 0.71 | |
NNC | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.72 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.81 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.75 | |
B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A | 2FOV | 0.7 | |
B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A,B | 2FOY | 0.7 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.7 | |
BAG | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.72 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.76 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.71 | |
19U | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZFP | 0.75 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.8 | |
CLB | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | A | 1VSB | 0.74 | |
EG2 | AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNX | 0.77 | |
F55 | N-{[(4-chlorophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN3 | 0.74 |