Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017240
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 |
SG1![]() | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.81 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.71 | ![]() | |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.7 | ![]() |
NMQ![]() | N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1C | 0.71 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.7 | ![]() |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.7 | ![]() |
T2D![]() | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.77 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXH | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1I9H | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2FHL | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXK | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OFB | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1IJ8 | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OF8 | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B,C,D | 1RXJ | 0.73 | ![]() |
BNI![]() | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | X,Y | 2FHN | 0.73 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.79 | ![]() |
PDM![]() | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.73 | ![]() |
PDM![]() | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.73 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL7 | 0.74 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL6 | 0.74 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CE2 | 0.74 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2EVW | 0.74 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL0 | 0.74 | ![]() |
XY2![]() | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CLC | 0.74 | ![]() |
PNQ![]() | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.71 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.77 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.77 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.77 | ![]() |
SHH![]() | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.77 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.7 | ![]() |
641![]() | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7M | 0.71 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.77 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.73 | ![]() |
IAP![]() | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.73 | ![]() |
P1Z![]() | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2W98 | 0.71 | ![]() |
P1Z![]() | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2BXC | 0.71 | ![]() |
P1Z![]() | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXP | 0.71 | ![]() |
P1Z![]() | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXQ | 0.71 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.72 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.72 | ![]() |
PHJ![]() | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.7 | ![]() |
01W![]() | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.74 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.7 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.72 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.72 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.7 | ![]() |
665![]() | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.73 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 | ![]() |