Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00287427
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 |
SKF | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.75 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.71 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.75 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.7 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.73 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
CRJ | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.72 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.71 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.71 | |
ABN | BENZYLAMINE | A | 1UTN | 0.71 | |
ABN | BENZYLAMINE | A | 1N6X | 0.71 | |
ABN | BENZYLAMINE | A | 2BZA | 0.71 | |
ABN | BENZYLAMINE | A | 2EUS | 0.71 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.71 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.75 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.76 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.7 | |
G0G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N- BENZYLBENZENESULFONAMIDE) | A,B | 2PQZ | 0.75 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.74 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.72 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.72 | |
FTS | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.73 | |
MTS | (4S-TRANS)-4-(METHYLAMINO)-5,6- DIHYDRO-6-METHYL-4H-THIENO(2,3- B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIN | 0.74 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.75 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.73 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.76 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.74 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.74 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.74 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.74 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.71 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | |
AL5 | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.7 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.7 | |
QN2 | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N- (4-iodobenzyl)benzenesulfonamide] | A,B | 2QNP | 0.72 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.7 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.7 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.77 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.77 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.82 | |
ETS | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO- 6-METHYL-4H-THIENO(2,3-B)THIOPYRAN- 2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIL | 0.74 | |
AM4 | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.7 |