Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01662962
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 |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.77 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPR | 0.71 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A,B | 2OPS | 0.71 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPP | 0.71 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPQ | 0.71 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.7 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.7 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.7 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.7 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.7 | |
IRF | 1-DEOXY-1-(8-IODO-7-METHYL-2,4- DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN- 10(2H)-YL)-D-RIBITOL | A | 2J08 | 0.71 | |
SL1 | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}- 1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]- 2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4- BENZODIAZEPIN-1-YL}ACETAMIDE | U | 1W12 | 0.7 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.72 | |
MC2 | N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE | A | 1T9Y | 0.74 | |
RBF | RIBOFLAVINE | B,D,F,H | 2FL5 | 0.72 | |
RBF | RIBOFLAVINE | A | 2CC8 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1PKV | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1T6Z | 0.72 | |
RBF | RIBOFLAVINE | A | 2VX9 | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 1KYV | 0.72 | |
RBF | RIBOFLAVINE | A | 1MOG | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E,F, G,H,I,J,K,L | 2VXA | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1L5R | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1HZE | 0.72 | |
RBF | RIBOFLAVINE | A,B,C,D,E | 2A58 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1BU5 | 0.72 | |
RBF | RIBOFLAVINE | X,Y | 3F4G | 0.72 | |
RBF | RIBOFLAVINE | A | 1NB9 | 0.72 | |
RBF | RIBOFLAVINE | A,B | 1I18 | 0.72 | |
RBF | RIBOFLAVINE | A | 3DDY | 0.72 | |
RBF | RIBOFLAVINE | A | 2CCB | 0.72 | |
LFN | LUMIFLAVIN | A | 2CCC | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | |
L86 | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.76 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A,B,C,D | 1EJI | 0.7 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 1U3G | 0.7 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 2TDD | 0.7 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.74 | |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.7 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.73 | |
TFI | 2-[5-METHANESULFONYLAMINO-2-(4- AMINOPHENYL)-6-OXO-1,6-DIHYDRO- 1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO- 1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE | A | 1EAT | 0.71 | |
UN5 | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.7 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.71 | |
RS3 | 1-deoxy-1-[8-(dimethylamino)-7- methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl]-D-ribitol | X,Y | 3F4H | 0.71 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.75 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.75 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.75 | |
GAS | B,H | 1ETZ | 0.71 | ||
GAS | H | 2CGR | 0.71 | ||
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.73 | |
SII | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.78 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.72 | |
A8B | A | 1ODC | 0.71 | ||
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1EQB | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1JOM | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1PJ7 | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1DFO | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 2VMY | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 1JOL | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1WOP | 0.7 |