Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02092901
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 |
24X | H,L | 2EC9 | 0.71 | ||
DOT | 3'ANTHRANILOYL-2'-DEOXY-ADENOSINE- 5'-TRIPHOSPHATE | A,B,C,D,E,F | 1LVC | 0.72 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.82 | |
MNT | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE- 5'-DIPHOSPHATE | A | 1LVK | 0.73 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.72 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | |
312 | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-METHOXY-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O2Z | 0.7 | |
NIX | NALIDIXIC ACID | A,B | 2BQ2 | 0.71 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.74 | |
DVR | 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL- BUTA-1,3-DIENYLAMINO)-INDOLIZINE- 2-CARBOXYLIC ACID | A | 1GA0 | 0.72 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.71 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,F,H, K,L,T,V,Z | 3A0H | 0.71 | |
PHO | PHEOPHYTIN A | Z | 1W5C | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,F,H, I,K,L,M,T,V,X | 2AXT | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,E,H, J,K,L,T,V,Z | 3A0B | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,E,F, H,I,J,K,M,O, T,V,Z | 3BZ1 | 0.71 | |
PHO | PHEOPHYTIN A | 0,A,B,C,D,E, G,J,K,L,M,N, P,R,V,W | 1IZL | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,E,F, J,K,V | 1S5L | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R | 1ILX | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R | 1FE1 | 0.71 | |
PHO | PHEOPHYTIN A | A,B,C,D,E,F, H,I,J,K,L,M, O,T,V,X,Z | 3BZ2 | 0.71 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.73 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JUJ | 0.7 | |
LYA | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID | A,B,C,D | 1JU6 | 0.7 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RG5 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWT | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | 1,2,3,5,6,7, 8,A,B,D,E,F, G,H,I,J,K,L, M,N,P,R,S,T, U,V,W,Y | 1PYH | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | A,B,C | 1Z9K | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXK | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RY5 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RZH | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | C,H,L,M | 1EYS | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWS | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 4RCR | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1K6N | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1YF6 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX5 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTS | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | C | 1E14 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTA | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PST | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1KBY | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | C,H,L,M | 1L9B | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 2RCR | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PCR | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1M3X | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HJ6 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DS8 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1FNQ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXJ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1QOV | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DU3 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX4 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1AIJ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,N,O | 1AIG | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RGN | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGX | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWV | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RQK | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DV6 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWW | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1RZZ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1S00 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HG3 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX3 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1OGV | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DUQ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | A,B | 1Z9J | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2GNU | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | C | 1E6D | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1MPS | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,X | 2UXM | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RVJ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXL | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | C,D,L,M,R,S | 1L9J | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 2JJ0 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JH0 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2GMR | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DU2 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PSS | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HG9 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HIT | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2JIY | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWU | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGZ | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2J8C | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DV3 | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DSY | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1F6N | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1FNP | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1K6L | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HHK | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGW | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2J8D | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1YST | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTR | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGY | 0.72 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HH1 | 0.72 | |
ONA | A,C | 2GVZ | 0.71 | ||
LN1 | (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}- N-(2-formylindolizin-3-yl)-3-sulfino- D-valine | A | 3D4F | 0.72 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.73 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.71 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 3PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 6PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RY5 | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RZH | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | L,M,R,S | 1RZZ | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | L,M,R,S | 1S00 | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2JBL | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1VRN | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 7PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1UMX | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1R2C | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 3D38 | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2I5N | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 5PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1PRC | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RVJ | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M,U | 1DXR | 0.72 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.71 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.7 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A | 2Z60 | 0.71 | |
P3Y | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3- B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE- 3-CARBOXAMIDE | A,B | 2QOH | 0.71 | |
MBC | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I2I | 0.7 | |
DX8 | 2-amino-6-(4-methoxyphenyl)-4-oxo- 4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine- 5-carbonitrile | A,B,C,D | 3BMK | 0.74 | |
AGN | A | 1GNP | 0.71 | ||
DX7 | 2-amino-4-oxo-6-phenyl-4,7-dihydro- 3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | A,B,C,D | 3BMJ | 0.7 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.71 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.71 | |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.72 | |
35A | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL- 4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA- 1(21),7(22),8,10,17,19-HEXAEN-19- YL]-N-METHYLMETHANESULFONAMIDE | A | 2PH8 | 0.76 | |
AX1 | 2-amino-6-(1,3-benzodioxol-5-yl)- 4-oxo-4,7-dihydro-3H-pyrrolo[2,3- d]pyrimidine-5-carbonitrile | A,B,C,D | 3BML | 0.72 | |
BH1 | BACTERIOPHEOPHYTIN | H,L,M | 2BOZ | 0.71 | |
BH1 | BACTERIOPHEOPHYTIN | A,B | 2BNS | 0.71 | |
BH1 | BACTERIOPHEOPHYTIN | A,B | 2BNP | 0.71 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.7 | |
L00 | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)- 2-methylcyclopropyl]methyl}amino)- 2-[methyl(methylsulfonyl)amino]pyridin- 4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan- 2-amine | A | 2NTR | 0.71 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.72 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.74 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.71 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.71 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.71 | |
BZC | A | 1EFY | 0.74 |