MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02272138

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
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.74
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1RNR	0.73
DAH	3,4-DIHYDROXYPHENYLALANINE	A	6PAH	0.73
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1IVV	0.73
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.71
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.78
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.78
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.78
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.78
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.78
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.78
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.78
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.7
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.74
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.74
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.74
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.74
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.74
Y13	(2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE	A	2EW6	0.77
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
LDP	L-DOPAMINE	A,B	2A3R	0.78
LDP	L-DOPAMINE	A	5PAH	0.78
LDP	L-DOPAMINE	A,B	2QMZ	0.78
LDP	L-DOPAMINE	A,B	2VQ5	0.78
CRS	M-CRESOL	A,B,C,D	1EV3	0.73
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.73
CRS	M-CRESOL	A,B	1UZ9	0.73
CRS	M-CRESOL	A,B,C,D	1ZEH	0.73
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.73
CRS	M-CRESOL	A,C,D,E	7INS	0.73
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.73
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.75
IM3	(2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID	A,B,C,D	2E82	0.76
PIT	PICEATANNOL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ1	0.73
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.72
MTY	META-TYROSINE	A	2TOH	0.7
MTY	META-TYROSINE	A,B	1BIQ	0.7
MTY	META-TYROSINE	A	1Q7O	0.7
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.73
HC4		A	1TS6	0.75
HC4		A	3PHY	0.75
HC4		A	3PYP	0.75
HC4		A	1T1C	0.75
HC4		A	1OT6	0.75
HC4		A	1TS0	0.75
HC4		A	1T1A	0.75
HC4		A	2PYP	0.75
HC4		A	2ZOI	0.75
HC4		A	1OTI	0.75
HC4		A	1XFQ	0.75
HC4		A	2D01	0.75
HC4		A,B,C,D,E,F, G,H	2O7B	0.75
HC4		A	2ZOH	0.75
HC4		A	1GSW	0.75
HC4		A	2QJ7	0.75
HC4		A	1F9I	0.75
HC4		X	1UWP	0.75
HC4		A	2PHY	0.75
HC4		A	1T1B	0.75
HC4		A	1F98	0.75
HC4		A	1T19	0.75
HC4		X	1UWN	0.75
HC4		A,B,C,D,E,F, G,H	2O7F	0.75
HC4		A	1UGU	0.75
HC4		A	1TS8	0.75
HC4		A,B	1OTD	0.75
HC4		A	1OTE	0.75
HC4		A	1GSX	0.75
HC4		A	1TS7	0.75
HC4		A	2PYR	0.75
HC4		A	1S4S	0.75
HC4		A	1GSV	0.75
HC4		A	2I9V	0.75
HC4		A	2QWS	0.75
HC4		A	1XFN	0.75
HC4		A	1S4R	0.75
HC4		A	1T18	0.75
HC4		A	1OTA	0.75
HC4		A	1D7E	0.75
HC4		A	1S1Z	0.75
HC4		A,B,C	1MZU	0.75
HC4		A,B	1ODV	0.75
HC4		A,B	2J3J	0.75
HC4		A	2QJ5	0.75
HC4		A	1OTB	0.75
HC4		A	2D02	0.75
HC4		A	1OT9	0.75
HC4		A	1NWZ	0.75
HC4		A	1S1Y	0.75
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.7
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.72
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.71
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.72
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.73
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.8
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.73
MBD	3-METHYLCATECHOL	A	1KNF	0.8
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.74
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
DHC	CAFFEIC ACID	A,B,C,D,E,F, G,H	2O7D	0.81
DHC	CAFFEIC ACID	A	1KOU	0.81
TYC	L-TYROSINAMIDE	A	2BF9	0.73
TYC	L-TYROSINAMIDE	A	2OCI	0.73
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.76
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.76
2LP	2-ALLYLPHENOL	A	1OV5	0.74
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
MCT	4-METHYLCATECHOL	A	1L4G	0.78
MCT	4-METHYLCATECHOL	A	2EHZ	0.78
MCT	4-METHYLCATECHOL	A,B	1DMH	0.78
PCR	P-CRESOL	A	1JHV	0.7
PCR	P-CRESOL	A	1JHU	0.7
PCR	P-CRESOL	A,B,C,D	1DIQ	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
LNR	L-NOREPINEPHRINE	A,B	2QEO	0.73
LNR	L-NOREPINEPHRINE	A	3DYE	0.73
LNR	L-NOREPINEPHRINE	A	4PAH	0.73
F16	5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE	A	2CM8	0.76
142	CARBIDOPA	A,B	1JS3	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.73
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.7
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.77
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.76
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.73
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.73
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.73
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.73
TY3	3-HYDROXY-L-TYROSINE	A,B	2VH3	0.73
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.72
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.71
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.78