MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003801

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
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.78
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.71
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.76
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.76
T4A		C,D	1KGI	0.71
T4A		A,B	1Z7J	0.71
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.74
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.7
CFA	(2,4-DICHLOROPHENOXY)ACETIC ACID	B,E	2P1N	0.75
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.72
268	2-phenoxyethanol	A	2RBR	0.85
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.72
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.72
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.72
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.72
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.72
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.74
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.76
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.7
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.7
TBL	N-[(4-methoxyphenyl)sulfonyl]-D- alanine	A	3EHY	0.71
D1L	2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID	A,B	1UYR	0.73
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1EUB	0.71
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1BM6	0.71
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.78
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.72
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.73
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.75
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.75
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.75
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.72
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
IPH	PHENOL	A,B	2OLD	0.71
IPH	PHENOL	A,B,C,D	2PZV	0.71
IPH	PHENOL	A	1LI2	0.71
IPH	PHENOL	A	2J9N	0.71
IPH	PHENOL	A,B,C,D	2OMB	0.71
IPH	PHENOL	A	1JHX	0.71
IPH	PHENOL	A,B,C,D	2VE7	0.71
IPH	PHENOL	B,D,E,G,H,J,L	1AI0	0.71
IPH	PHENOL	A,B,C,D	1FOH	0.71
IPH	PHENOL	A	1V03	0.71
IPH	PHENOL	A,C,E,G,I,K	5AIY	0.71
IPH	PHENOL	B,D,F,H,J,L	1AIY	0.71
IPH	PHENOL	A,B	1XU5	0.71
IPH	PHENOL	A,B,C,D,E,G, I,K	1W8P	0.71
IPH	PHENOL	A,C,E,G,I,K	4AIY	0.71
IPH	PHENOL	A,B,C,D,E,F, G,H	1XDA	0.71
IPH	PHENOL	A	2AS3	0.71
IPH	PHENOL	A,B,C,D	1ZEG	0.71
IPH	PHENOL	A,B,C,D	1PN0	0.71
IPH	PHENOL	A,B,C,D	1XW7	0.71
IPH	PHENOL	A,C,E,G,I,K,M	1QIY	0.71
IPH	PHENOL	A,B,C,D	1Q4V	0.71
IPH	PHENOL	B	1AI7	0.71
IPH	PHENOL	A	1FJW	0.71
IPH	PHENOL	B,C,D	1RWE	0.71
IPH	PHENOL	A,B,C,D,E,G, H,I,K	1ZNJ	0.71
IPH	PHENOL	B,C,D	3GKY	0.71
IPH	PHENOL	A	1JHY	0.71
IPH	PHENOL	A,C,E,G,I,K	3AIY	0.71
IPH	PHENOL	A,B	2OMN	0.71
IPH	PHENOL	A,C,E,G,I,K	2AIY	0.71
IPH	PHENOL	A,B,D	1MPJ	0.71
IPH	PHENOL	A,B,C,D,F,G, H,J	1WAV	0.71
IPH	PHENOL	B,C,D	1LPH	0.71
258	(2-chloroethoxy)benzene	X	2RAY	0.8
261	2-ethoxyphenol	X	2RB1	0.81
COU	COUMARIN	A	3CRB	0.75
COU	COUMARIN	A	2PMJ	0.75
COU	COUMARIN	A	2H90	0.75
COU	COUMARIN	A,B,C,D	1Z10	0.75
COU	COUMARIN	A	2PWB	0.75
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.78
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.76
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.73
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2BT4	0.72
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.77
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.7
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.73
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.73
FOA	2-FUROIC ACID	A,B	2GF3	0.71
FOA	2-FUROIC ACID	A,B,D	2GAG	0.71
FOA	2-FUROIC ACID	A,B,C,D	2GAH	0.71
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.72
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.72
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7
8MR	(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID	A,B	2OW2	0.72
LJ4	2,6-dibromo-4-phenoxyphenol	A,B	3CN3	0.72