MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02672242

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
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.74
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.71
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.74
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.73
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.71
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.7
OXN	OXTOXYNOL-10	A	1IKT	0.72
OXN	OXTOXYNOL-10	A,B	2Q32	0.72
OXN	OXTOXYNOL-10	A,B	1UEH	0.72
OXN	OXTOXYNOL-10	A,B	2D4Q	0.72
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A,B	1JP3	0.72
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A	2W22	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.71
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.7
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.75
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.7
459	4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL	A,B	2FAI	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.84
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.84
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.84
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.84
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.84
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.84
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.84
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.84
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.84
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.84
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.71
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.75
BFL		A,B	1Q4G	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.76
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.76
4FC		A	1YSG	0.7
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.7
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.79
689	4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL	A,B	1ZKY	0.7
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.7
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.7
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.7
PEL	2-PHENYL-ETHANOL	A	1EYW	0.7
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.7