Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283504
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 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.8 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.86 | |
CPU | A,B | 1CR6 | 0.73 | ||
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.77 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.77 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.72 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.73 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.73 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.8 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.81 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.8 | |
IDM | INDOLINE | A,B | 3CEP | 0.83 | |
IDM | INDOLINE | A | 1AEK | 0.83 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.72 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.78 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.78 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.74 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.77 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.78 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.76 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.7 | |
A8B | A | 1ODC | 0.75 | ||
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.72 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.72 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.75 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.75 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.86 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.86 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.72 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.77 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.7 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.73 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.76 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.76 | |
ANL | ANILINE | A | 2OV4 | 0.75 | |
ANL | ANILINE | A | 1AEE | 0.75 | |
ANL | ANILINE | A | 1PPA | 0.75 | |
ANL | ANILINE | A | 1HJ9 | 0.75 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.73 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.73 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.86 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.72 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.73 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.72 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.76 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.76 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.76 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.76 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.76 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.76 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.81 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.81 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.8 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.8 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.79 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.79 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.82 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.82 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.75 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.75 | |
ABN | BENZYLAMINE | A | 1UTN | 0.75 | |
ABN | BENZYLAMINE | A | 1N6X | 0.75 | |
ABN | BENZYLAMINE | A | 2BZA | 0.75 | |
ABN | BENZYLAMINE | A | 2EUS | 0.75 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.75 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.75 | |
BRN | BERENIL | A,B | 268D | 0.72 | |
BRN | BERENIL | A,B | 1D63 | 0.72 | |
BRN | BERENIL | A,D,E | 2GBY | 0.72 | |
BRN | BERENIL | A | 2DBE | 0.72 | |
BRN | BERENIL | A | 2GVR | 0.72 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.71 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.73 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.76 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.83 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.71 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.71 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.88 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.71 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.8 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.76 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.83 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.83 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.78 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.78 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.79 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.79 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.81 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.76 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.7 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.8 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.88 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.77 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.71 |