MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02226909

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
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL5	0.79
DHF	DIHYDROFOLIC ACID	A	1LCB	0.79
DHF	DIHYDROFOLIC ACID	A,B,C,D	1MXH	0.79
DHF	DIHYDROFOLIC ACID	A	2RK1	0.79
DHF	DIHYDROFOLIC ACID	A	1RF7	0.79
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL6	0.79
DHF	DIHYDROFOLIC ACID	A	1TYS	0.79
MEF	N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid	A	3BGX	0.77
FON	FOLINIC ACID	A,B	1QD1	0.78
FON	FOLINIC ACID	A,B	2BLN	0.78
FON	FOLINIC ACID	A,B,C,D	1VRQ	0.78
FON	FOLINIC ACID	A,B	1KL2	0.78
FON	FOLINIC ACID	A,B	1XZQ	0.78
APQ	2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE	A	1K4H	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.84
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.84
D16	TOMUDEX	A,B	1I00	0.84
D16	TOMUDEX	A,B	2KCE	0.84
D16	TOMUDEX	A,B,C,D	2TSR	0.84
D16	TOMUDEX	A,B,C,D	1HVY	0.84
D16	TOMUDEX	A,B	1RTS	0.84
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.82
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1TSD	0.76
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1SYN	0.76
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	2VF0	0.76
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B,C,D,E	1SEJ	0.76
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B,C,D	1F28	0.76
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1TLC	0.76
BW2	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID	A,B,C,D	1PL0	0.88
38M	3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one	A	3F9N	0.71
901	2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID	A	1NZ7	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.76
NHS	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID	A,B	1C2T	0.85
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX6	0.76
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX5	0.76
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX4	0.76
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A,B	1DYJ	0.76
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RC4	0.76
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.72
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.72
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.72
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.8
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.8
4HF	N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8- HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN- 6-YL]ETHYL}-2-THIENYL)CARBONYL]- L-GLUTAMIC ACID	A,B,C	2FMN	0.79
KMB	2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE	A	1Q66	0.84
BHB	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE	A	1Q65	0.79
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	X	2IJG	0.76
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	2J4D	0.76
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	1DNP	0.76