MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02898816

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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID	A	2PIK	0.75
VXX	VANILLATE	A,B	1WB6	0.77
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.74
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.74
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.74
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.74
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.73
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.71
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.71
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.74
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.77
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.77
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.74
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.71
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,E,N, O,P,Q,R	1VF5	0.73
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.71
MAX	MATAIRESINOL	A	2BGM	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.8
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.89
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.71
BZF	BENZOFURAN	A	182L	0.72
SMA	STIGMATELLIN A	A,C,D,E,N,P, Q,R	3H1I	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.72
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CXH	0.72
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.72
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L	2QJP	0.72
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJK	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.72
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.72
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CX5	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2FYN	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJY	0.72
SMA	STIGMATELLIN A	C,D,E	1EZV	0.72
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.72
SMA	STIGMATELLIN A	A,C,D,E,G,N, P,Q,R,S	3H1J	0.72
SMA	STIGMATELLIN A	C,D,E	1SQX	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.73
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.79
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.73
SIG	STIGMATELLIN	C,D,E	2BCC	0.72
SIG	STIGMATELLIN	C,D,E	3BCC	0.72
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.72
SYR	SYRINGATE	A,B	1WB5	0.74
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	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
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.72
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.84
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.84
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.75
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.76
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.7