MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231967

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.72
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.72
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE	A	1EVE	0.74
8MO	METHOXSALEN	A,B,C,D	1Z11	0.71
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID	A	2PIK	0.74
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.75
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.73
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	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.74
BDS	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID	A,B	1JJT	0.72
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.7
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
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.78
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.78
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.78
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.78
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
SXX	SINAPINATE	A,B	1WB4	0.73
MOA	MYCOPHENOLIC ACID	A	1ME7	0.7
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.7
MOA	MYCOPHENOLIC ACID	A	1MEI	0.7
MOA	MYCOPHENOLIC ACID	A	1MEH	0.7
SYR	SYRINGATE	A,B	1WB5	0.8
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.7
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.71
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.84
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.77
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
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.77
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.82
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.82
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
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.75
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.89
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.89
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.7
SIG	STIGMATELLIN	C,D,E	2BCC	0.72
SIG	STIGMATELLIN	C,D,E	3BCC	0.72
REF	2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione	A	2ZJW	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.77
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.77
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.77
GEN	GENISTEIN	A	1QKM	0.72
GEN	GENISTEIN	A,B	1X7J	0.72
GEN	GENISTEIN	A,B	2QA8	0.72
GEN	GENISTEIN	A	1X7R	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
VXX	VANILLATE	A,B	1WB6	0.82
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.71
MAX	MATAIRESINOL	A	2BGM	0.75
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.7
CIO	CILOMILAST	A,B	1XOM	0.71
CIO	CILOMILAST	A,B	1XLX	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.81