Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829294
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 |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.72 | |
5NS | 5-aminonaphthalene-1-sulfonic acid | A,B | 3CFT | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.77 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.77 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.77 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.82 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.78 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.78 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.7 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.84 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.84 | |
BRN | BERENIL | A,B | 268D | 0.71 | |
BRN | BERENIL | A,B | 1D63 | 0.71 | |
BRN | BERENIL | A,D,E | 2GBY | 0.71 | |
BRN | BERENIL | A | 2DBE | 0.71 | |
BRN | BERENIL | A | 2GVR | 0.71 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.73 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.73 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.74 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.74 | |
IDM | INDOLINE | A,B | 3CEP | 0.71 | |
IDM | INDOLINE | A | 1AEK | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.71 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.72 | |
I7C | 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE- 1,3-DISULFONAMIDE | A | 2POW | 0.75 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.71 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.71 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.71 | |
AMS | 3-MERCURI-4-AMINOBENZENESULFONAMIDE | A | 3CA2 | 0.78 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.72 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.76 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.7 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.7 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.7 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.71 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.76 | |
AAS | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.75 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.87 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.71 | |
ANL | ANILINE | A | 2OV4 | 0.76 | |
ANL | ANILINE | A | 1AEE | 0.76 | |
ANL | ANILINE | A | 1PPA | 0.76 | |
ANL | ANILINE | A | 1HJ9 | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.82 | |
SAN | SULFANILAMIDE | A | 1AJ0 | 0.79 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.87 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.87 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.87 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.87 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.81 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.81 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.81 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.81 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.72 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.73 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.71 | |
N2M | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | C,D | 1HKN | 0.76 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.78 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.92 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.8 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.87 | |
34T | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.7 | |
SBN | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE | A | 1JLQ | 0.73 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.76 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.76 |