Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320716
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 |
DRG![]() | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3- YLAMINE | A | 1P4F | 0.72 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.84 | ![]() |
1AN![]() | 2-FLUOROANILINE | A | 1LGW | 0.72 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.73 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.73 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.73 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.73 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.71 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.71 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.8 | ![]() |
GP6![]() | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.72 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.73 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.73 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.79 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.74 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | ![]() |
TFM![]() | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.72 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.74 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.7 | ![]() |
2CM![]() | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.7 | ![]() |
U12![]() | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.75 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.79 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.71 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TIO | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J15 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BEU | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2U | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1S0R | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V16 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC7 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 3BG8 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC8 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 3PTB | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1TRM | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHR | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLV | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 3D49 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H,L,T | 2AER | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J14 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1NSA | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AYW | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BRA | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 1A0J | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | B,C,D | 2AST | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKR | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LPU | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHM | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J8A | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BCX | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1AND | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TBS | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2M | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2EEK | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZI2 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2J | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H | 1KLI | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CE5 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | B,Y | 2PKA | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2VJ0 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 3B3J | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANB | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LO6 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LR4 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V1M | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHP | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2J9N | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BMV | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKS | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLW | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J16 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V11 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | B | 1RTF | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2E58 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TRM | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2V | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1MBQ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2O8U | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H | 1DWB | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | B,C | 2ASS | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANE | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZIQ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BIT | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AIQ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OQ5 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANC | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H | 1JBU | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2BPQ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2GNN | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2S | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1H4W | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1OSS | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1W80 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BTY | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZFQ | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1EAX | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1L2E | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1WRI | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BB8 | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OXS | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | A | 1DPO | 0.75 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2L | 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 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.74 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.74 | ![]() |
5AN![]() | 3,5-DIFLUOROANILINE | A | 1LGX | 0.7 | ![]() |
ANL![]() | ANILINE | A | 2OV4 | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1AEE | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1PPA | 0.75 | ![]() |
ANL![]() | ANILINE | A | 1HJ9 | 0.75 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.8 | ![]() |
APB![]() | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.84 | ![]() |
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 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | A | 2E2T | 0.71 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.71 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.86 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.86 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.86 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.86 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.86 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.81 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.88 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.88 | ![]() |
ASR![]() | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.79 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.79 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.81 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.81 | ![]() |
U19![]() | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | U | 1F5K | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY8 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | B | 2PSM | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY9 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C1N | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY6 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | H,I | 1C5O | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 1XX4 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 1HJ8 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C5P | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | B | 1C5Z | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A,B | 1ZVW | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANW | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANY | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BYA | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | A | 1TIO | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY5 | 0.75 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY7 | 0.75 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.81 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | ![]() |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.8 | ![]() |