Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365572
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 |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.73 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.71 | |
BEN | BENZAMIDINE | A | 2TIO | 0.78 | |
BEN | BENZAMIDINE | A | 1J15 | 0.78 | |
BEN | BENZAMIDINE | A,B | 3BEU | 0.78 | |
BEN | BENZAMIDINE | T | 1V2U | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.78 | |
BEN | BENZAMIDINE | A | 1S0R | 0.78 | |
BEN | BENZAMIDINE | A,B | 1V16 | 0.78 | |
BEN | BENZAMIDINE | A | 1CC7 | 0.78 | |
BEN | BENZAMIDINE | A | 3BG8 | 0.78 | |
BEN | BENZAMIDINE | A | 1CC8 | 0.78 | |
BEN | BENZAMIDINE | A | 3PTB | 0.78 | |
BEN | BENZAMIDINE | A,B | 1TRM | 0.78 | |
BEN | BENZAMIDINE | A | 1ZHR | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.78 | |
BEN | BENZAMIDINE | A | 2BLV | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.78 | |
BEN | BENZAMIDINE | H,I | 3D49 | 0.78 | |
BEN | BENZAMIDINE | H,L,T | 2AER | 0.78 | |
BEN | BENZAMIDINE | A | 1J14 | 0.78 | |
BEN | BENZAMIDINE | A | 1NSA | 0.78 | |
BEN | BENZAMIDINE | A | 2AYW | 0.78 | |
BEN | BENZAMIDINE | A | 1BRA | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D | 1A0J | 0.78 | |
BEN | BENZAMIDINE | B,C,D | 2AST | 0.78 | |
BEN | BENZAMIDINE | A,B | 2CKR | 0.78 | |
BEN | BENZAMIDINE | A | 1LPU | 0.78 | |
BEN | BENZAMIDINE | A | 1ZHM | 0.78 | |
BEN | BENZAMIDINE | A | 1J8A | 0.78 | |
BEN | BENZAMIDINE | A,B | 3BCX | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.78 | |
BEN | BENZAMIDINE | A | 1AND | 0.78 | |
BEN | BENZAMIDINE | A | 2TBS | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.78 | |
BEN | BENZAMIDINE | T | 1V2M | 0.78 | |
BEN | BENZAMIDINE | A | 2EEK | 0.78 | |
BEN | BENZAMIDINE | H,I | 2ZI2 | 0.78 | |
BEN | BENZAMIDINE | T | 1V2J | 0.78 | |
BEN | BENZAMIDINE | H | 1KLI | 0.78 | |
BEN | BENZAMIDINE | A | 1CE5 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.78 | |
BEN | BENZAMIDINE | B,Y | 2PKA | 0.78 | |
BEN | BENZAMIDINE | A | 2VJ0 | 0.78 | |
BEN | BENZAMIDINE | A | 3B3J | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.78 | |
BEN | BENZAMIDINE | A | 1ANB | 0.78 | |
BEN | BENZAMIDINE | A | 1LO6 | 0.78 | |
BEN | BENZAMIDINE | A | 1LR4 | 0.78 | |
BEN | BENZAMIDINE | A,B | 1V1M | 0.78 | |
BEN | BENZAMIDINE | A | 1ZHP | 0.78 | |
BEN | BENZAMIDINE | A | 2J9N | 0.78 | |
BEN | BENZAMIDINE | A | 2BMV | 0.78 | |
BEN | BENZAMIDINE | A,B | 2CKS | 0.78 | |
BEN | BENZAMIDINE | A | 2BLW | 0.78 | |
BEN | BENZAMIDINE | A | 1J16 | 0.78 | |
BEN | BENZAMIDINE | A,B | 1V11 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.78 | |
BEN | BENZAMIDINE | B | 1RTF | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D | 2E58 | 0.78 | |
BEN | BENZAMIDINE | A | 2TRM | 0.78 | |
BEN | BENZAMIDINE | T | 1V2V | 0.78 | |
BEN | BENZAMIDINE | A | 1MBQ | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.78 | |
BEN | BENZAMIDINE | A | 2O8U | 0.78 | |
BEN | BENZAMIDINE | H | 1DWB | 0.78 | |
BEN | BENZAMIDINE | B,C | 2ASS | 0.78 | |
BEN | BENZAMIDINE | A | 1ANE | 0.78 | |
BEN | BENZAMIDINE | H,I | 2ZIQ | 0.78 | |
BEN | BENZAMIDINE | A | 1BIT | 0.78 | |
BEN | BENZAMIDINE | A | 2AIQ | 0.78 | |
BEN | BENZAMIDINE | A | 2OQ5 | 0.78 | |
BEN | BENZAMIDINE | A | 1ANC | 0.78 | |
BEN | BENZAMIDINE | H | 1JBU | 0.78 | |
BEN | BENZAMIDINE | A,B | 2BPQ | 0.78 | |
BEN | BENZAMIDINE | A,B,C,D | 2GNN | 0.78 | |
BEN | BENZAMIDINE | T | 1V2S | 0.78 | |
BEN | BENZAMIDINE | A | 1H4W | 0.78 | |
BEN | BENZAMIDINE | A | 1OSS | 0.78 | |
BEN | BENZAMIDINE | A | 1W80 | 0.78 | |
BEN | BENZAMIDINE | A | 1BTY | 0.78 | |
BEN | BENZAMIDINE | H,I | 2ZFQ | 0.78 | |
BEN | BENZAMIDINE | A | 1EAX | 0.78 | |
BEN | BENZAMIDINE | A | 1L2E | 0.78 | |
BEN | BENZAMIDINE | A | 1WRI | 0.78 | |
BEN | BENZAMIDINE | A,B | 3BB8 | 0.78 | |
BEN | BENZAMIDINE | A | 2OXS | 0.78 | |
BEN | BENZAMIDINE | A | 1DPO | 0.78 | |
BEN | BENZAMIDINE | T | 1V2L | 0.78 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | |
PXY | PARA-XYLENE | A | 187L | 0.7 | |
PXY | PARA-XYLENE | A | 225L | 0.7 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.72 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.78 | |
MBN | TOLUENE | A,B | 3D7O | 0.72 | |
MBN | TOLUENE | A,B | 1R1X | 0.72 | |
MBN | TOLUENE | A,B | 1JLX | 0.72 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.72 | |
MBN | TOLUENE | A,B | 2VRL | 0.72 | |
MBN | TOLUENE | A,I | 2Z3E | 0.72 | |
MBN | TOLUENE | A,B | 1YZI | 0.72 | |
MBN | TOLUENE | A,B | 2DN1 | 0.72 | |
MBN | TOLUENE | A,B | 3EN1 | 0.72 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.71 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.78 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.78 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.75 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.73 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.7 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.78 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.77 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.7 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.75 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.75 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.75 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.78 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.75 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.75 | |
BAM | BENZAMIDINE | U | 1F5K | 0.78 | |
BAM | BENZAMIDINE | X | 2BY8 | 0.78 | |
BAM | BENZAMIDINE | B | 2PSM | 0.78 | |
BAM | BENZAMIDINE | X | 2BY9 | 0.78 | |
BAM | BENZAMIDINE | A | 1C1N | 0.78 | |
BAM | BENZAMIDINE | X | 2BY6 | 0.78 | |
BAM | BENZAMIDINE | H,I | 1C5O | 0.78 | |
BAM | BENZAMIDINE | A | 1XX4 | 0.78 | |
BAM | BENZAMIDINE | A | 1HJ8 | 0.78 | |
BAM | BENZAMIDINE | A | 1C5P | 0.78 | |
BAM | BENZAMIDINE | B | 1C5Z | 0.78 | |
BAM | BENZAMIDINE | A,B | 1ZVW | 0.78 | |
BAM | BENZAMIDINE | A | 2ANW | 0.78 | |
BAM | BENZAMIDINE | A | 2ANY | 0.78 | |
BAM | BENZAMIDINE | X | 2BYA | 0.78 | |
BAM | BENZAMIDINE | A | 1TIO | 0.78 | |
BAM | BENZAMIDINE | X | 2BY5 | 0.78 | |
BAM | BENZAMIDINE | X | 2BY7 | 0.78 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.81 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.81 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.75 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.73 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.77 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.77 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.72 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.72 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.72 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.72 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.77 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.77 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.7 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.7 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.7 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.7 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.7 | |
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 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.75 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.72 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.73 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.86 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.86 | |
ABN | BENZYLAMINE | A | 1UTN | 0.86 | |
ABN | BENZYLAMINE | A | 1N6X | 0.86 | |
ABN | BENZYLAMINE | A | 2BZA | 0.86 | |
ABN | BENZYLAMINE | A | 2EUS | 0.86 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.86 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.86 | |
DPK | DEPRENYL | A,B | 2BYB | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.7 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.7 | |
PYL | PHENYLETHANE | A | 1NHB | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.78 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.82 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.82 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 |